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

C72H72F8N24 — CID 159066948

IUPAC6-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
SMILESCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1cc(F)ccc1F.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.C[C@@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.C[C@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F
InChIInChI=1S/4C18H18F2N6/c1-10(13-6-12(19)4-5-14(13)20)23-16-8-17(22-9-21-16)24-18-7-15(25-26-18)11-2-3-11;3*1-10(13-5-4-12(19)6-14(13)20)23-16-8-17(22-9-21-16)24-18-7-15(25-26-18)11-2-3-11/h4*4-11H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t;2*10-;/m.10./s1
InChIKeyJZECTBNYCRYOKP-JFBGQULXSA-N
MW1425.52 g/mol
LogP17.09
Rot. Bonds24

About 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

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 (PubChem CID 159066948) has the molecular formula C72H72F8N24 and a molecular weight of 1425.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID159066948
Molecular FormulaC72H72F8N24
Molecular Weight1425.52 g/mol
Exact Mass1424.62
IUPAC Name6-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
SMILESCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1cc(F)ccc1F.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.C[C@@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.C[C@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F
InChIInChI=1S/4C18H18F2N6/c1-10(13-6-12(19)4-5-14(13)20)23-16-8-17(22-9-21-16)24-18-7-15(25-26-18)11-2-3-11;3*1-10(13-5-4-12(19)6-14(13)20)23-16-8-17(22-9-21-16)24-18-7-15(25-26-18)11-2-3-11/h4*4-11H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t;2*10-;/m.10./s1
InChIKeyJZECTBNYCRYOKP-JFBGQULXSA-N
XLogP17.09
TPSA314.08 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001425.52
LogP ≤ 517.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 137351326
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine
CID 155196380
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
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine
CID 67478872
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
CID 69234321
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-nitropyridine-2,4-diamine
CID 67478852
6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carbaldehyde
CID 86620610
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
7-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]quinazoline-2,4-diamine
CID 68898803
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 67478851
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 91611148

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1cc(F)ccc1F.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.C[C@@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.C[C@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.
What is the InChIKey of 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?
The InChIKey is JZECTBNYCRYOKP-JFBGQULXSA-N. The full InChI is InChI=1S/4C18H18F2N6/c1-10(13-6-12(19)4-5-14(13)20)23-16-8-17(22-9-21-16)24-18-7-15(25-26-18)11-2-3-11;3*1-10(13-5-4-12(19)6-14(13)20)23-16-8-17(22-9-21-16)24-18-7-15(25-26-18)11-2-3-11/h4*4-11H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t;2*10-;/m.10./s1.
What are the key properties of 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?
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 has a molecular weight of 1425.52 g/mol, XLogP of 17.09, 24 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159066948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).