6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine

C18H18F2N6 — CID 137351326

IUPAC6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N6/c1-10(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/h4-11H,2-3H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyDHTIYHHLGRDJCP-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.27
Rot. Bonds6

About 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-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 137351326) has the molecular formula C18H18F2N6 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID137351326
Molecular FormulaC18H18F2N6
Molecular Weight356.38 g/mol
Exact Mass356.16
IUPAC Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N6/c1-10(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/h4-11H,2-3H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyDHTIYHHLGRDJCP-UHFFFAOYSA-N
XLogP4.27
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine
CID 155196380
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
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]-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
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 67478851
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 91611148
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-6-N-[1-(4-fluorophenyl)ethyl]-5-nitropyridine-2,6-diamine
CID 77294915
2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 161194042
7-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]quinazoline-2,4-diamine
CID 68898803

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine (CID 137351326) is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine is CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.
What is the InChIKey of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is DHTIYHHLGRDJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6/c1-10(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/h4-11H,2-3H2,1H3,(H3,21,22,23,24,25,26).
What are the key properties of 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-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 356.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 137351326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).