4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

C16H22FN7 — CID 170298164

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2nc(F)cc(Nc3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C16H22FN7/c1-24-6-4-11(5-7-24)18-16-19-13(17)9-14(21-16)20-15-8-12(22-23-15)10-2-3-10/h8-11H,2-7H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyFDBKGQWIYXGHCN-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.47
Rot. Bonds5

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 170298164) has the molecular formula C16H22FN7 and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID170298164
Molecular FormulaC16H22FN7
Molecular Weight331.40 g/mol
Exact Mass331.19
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2nc(F)cc(Nc3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C16H22FN7/c1-24-6-4-11(5-7-24)18-16-19-13(17)9-14(21-16)20-15-8-12(22-23-15)10-2-3-10/h8-11H,2-7H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyFDBKGQWIYXGHCN-UHFFFAOYSA-N
XLogP2.47
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azetidin-1-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 143752054
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 171637789
1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one
CID 174114784
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 171350063
[5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 59758000
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpiperidin-4-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59758090
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 83484509
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 118446914
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
CID 69234321
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]propan-2-one
CID 163594369
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)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59758036

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 170298164) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is CN1CCC(Nc2nc(F)cc(Nc3cc(C4CC4)[nH]n3)n2)CC1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is FDBKGQWIYXGHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN7/c1-24-6-4-11(5-7-24)18-16-19-13(17)9-14(21-16)20-15-8-12(22-23-15)10-2-3-10/h8-11H,2-7H2,1H3,(H3,18,19,20,21,22,23).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 331.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 170298164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).