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

C18H19FN6 — CID 70691734

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESFc1cccc(CCNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C18H19FN6/c19-14-3-1-2-12(10-14)6-8-20-18-21-9-7-16(23-18)22-17-11-15(24-25-17)13-4-5-13/h1-3,7,9-11,13H,4-6,8H2,(H3,20,21,22,23,24,25)
InChIKeyOQQNZQAJQCETFT-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.61
Rot. Bonds7

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 70691734) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID70691734
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESFc1cccc(CCNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C18H19FN6/c19-14-3-1-2-12(10-14)6-8-20-18-21-9-7-16(23-18)22-17-11-15(24-25-17)13-4-5-13/h1-3,7,9-11,13H,4-6,8H2,(H3,20,21,22,23,24,25)
InChIKeyOQQNZQAJQCETFT-UHFFFAOYSA-N
XLogP3.61
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 161194042
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine
CID 86694747
N-[2-(3-fluorophenyl)ethyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine
CID 58603492
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine
CID 90243458
4-N-[2-(3-fluorophenyl)ethyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 69185641
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine
CID 123790838
3-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanoyl-methylazanium
CID 143702294
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 71058316
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 69067636
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[7-fluoro-1-(oxan-2-yl)benzimidazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 86694753
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 70691734) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine is Fc1cccc(CCNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is OQQNZQAJQCETFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c19-14-3-1-2-12(10-14)6-8-20-18-21-9-7-16(23-18)22-17-11-15(24-25-17)13-4-5-13/h1-3,7,9-11,13H,4-6,8H2,(H3,20,21,22,23,24,25).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 338.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 70691734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).