2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine

C75H82F4N24O2 — CID 160904054

IUPAC2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine
SMILESCC(c1cc(F)ccc1F)N(C)c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.CC(c1ccc(F)cc1)N(C)c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.COCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccccc1.OCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N6.C19H21FN6.C19H22N6O.C18H19FN6O/c1-11(14-7-13(20)5-6-15(14)21)27(2)19-9-17(22-10-23-19)24-18-8-16(25-26-18)12-3-4-12;1-12(13-5-7-15(20)8-6-13)26(2)19-10-17(21-11-22-19)23-18-9-16(24-25-18)14-3-4-14;1-26-11-16(13-5-3-2-4-6-13)22-17-10-18(21-12-20-17)23-19-9-15(24-25-19)14-7-8-14;19-13-5-3-12(4-6-13)15(9-26)22-16-8-17(21-10-20-16)23-18-7-14(24-25-18)11-1-2-11/h5-12H,3-4H2,1-2H3,(H2,22,23,24,25,26);5-12,14H,3-4H2,1-2H3,(H2,21,22,23,24,25);2-6,9-10,12,14,16H,7-8,11H2,1H3,(H3,20,21,22,23,24,25);3-8,10-11,15,26H,1-2,9H2,(H3,20,21,22,23,24,25)
InChIKeySPWUJVZDCQOCEE-UHFFFAOYSA-N
MW1427.64 g/mol
LogP15.18
Rot. Bonds27

About 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine

2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 160904054) has the molecular formula C75H82F4N24O2 and a molecular weight of 1427.64 g/mol. Its IUPAC name is 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine
PubChem CID160904054
Molecular FormulaC75H82F4N24O2
Molecular Weight1427.64 g/mol
Exact Mass1426.70
IUPAC Name2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine
SMILESCC(c1cc(F)ccc1F)N(C)c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.CC(c1ccc(F)cc1)N(C)c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.COCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccccc1.OCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N6.C19H21FN6.C19H22N6O.C18H19FN6O/c1-11(14-7-13(20)5-6-15(14)21)27(2)19-9-17(22-10-23-19)24-18-8-16(25-26-18)12-3-4-12;1-12(13-5-7-15(20)8-6-13)26(2)19-10-17(21-11-22-19)23-18-9-16(24-25-18)14-3-4-14;1-26-11-16(13-5-3-2-4-6-13)22-17-10-18(21-12-20-17)23-19-9-15(24-25-19)14-7-8-14;19-13-5-3-12(4-6-13)15(9-26)22-16-8-17(21-10-20-16)23-18-7-14(24-25-18)11-1-2-11/h5-12H,3-4H2,1-2H3,(H2,22,23,24,25,26);5-12,14H,3-4H2,1-2H3,(H2,21,22,23,24,25);2-6,9-10,12,14,16H,7-8,11H2,1H3,(H3,20,21,22,23,24,25);3-8,10-11,15,26H,1-2,9H2,(H3,20,21,22,23,24,25)
InChIKeySPWUJVZDCQOCEE-UHFFFAOYSA-N
XLogP15.18
TPSA325.96 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001427.64
LogP ≤ 515.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1S)-1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 159066948
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 137351326
2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 161194042
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine
CID 155196380
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-(4-fluorophenyl)ethanol
CID 68900059
(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 67456086
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol
CID 68936759
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
CID 69234321
5-amino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 91600745
3-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrimidin-4-yl]amino]propan-1-ol
CID 68901137
(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol
CID 129369078
N-[2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-3-pyridinyl]-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 174550211

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine (CID 160904054) is 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine is CC(c1cc(F)ccc1F)N(C)c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.CC(c1ccc(F)cc1)N(C)c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.COCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccccc1.OCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1.
What is the InChIKey of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is SPWUJVZDCQOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6.C19H21FN6.C19H22N6O.C18H19FN6O/c1-11(14-7-13(20)5-6-15(14)21)27(2)19-9-17(22-10-23-19)24-18-8-16(25-26-18)12-3-4-12;1-12(13-5-7-15(20)8-6-13)26(2)19-10-17(21-11-22-19)23-18-9-16(24-25-18)14-3-4-14;1-26-11-16(13-5-3-2-4-6-13)22-17-10-18(21-12-20-17)23-19-9-15(24-25-19)14-7-8-14;19-13-5-3-12(4-6-13)15(9-26)22-16-8-17(21-10-20-16)23-18-7-14(24-25-18)11-1-2-11/h5-12H,3-4H2,1-2H3,(H2,22,23,24,25,26);5-12,14H,3-4H2,1-2H3,(H2,21,22,23,24,25);2-6,9-10,12,14,16H,7-8,11H2,1H3,(H3,20,21,22,23,24,25);3-8,10-11,15,26H,1-2,9H2,(H3,20,21,22,23,24,25).
What are the key properties of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine?
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 1427.64 g/mol, XLogP of 15.18, 27 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 160904054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).