2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one

C14H22N6O — CID 135294588

IUPAC2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one
SMILESCN1CCC(N2C=C(Nc3nccc(=O)[nH]3)CN2C)CC1
InChIInChI=1S/C14H22N6O/c1-18-7-4-12(5-8-18)20-10-11(9-19(20)2)16-14-15-6-3-13(21)17-14/h3,6,10,12H,4-5,7-9H2,1-2H3,(H2,15,16,17,21)
InChIKeyNFNGKQYDHKAYPU-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.28
Rot. Bonds3

About 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one

2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 135294588) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID135294588
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one
SMILESCN1CCC(N2C=C(Nc3nccc(=O)[nH]3)CN2C)CC1
InChIInChI=1S/C14H22N6O/c1-18-7-4-12(5-8-18)20-10-11(9-19(20)2)16-14-15-6-3-13(21)17-14/h3,6,10,12H,4-5,7-9H2,1-2H3,(H2,15,16,17,21)
InChIKeyNFNGKQYDHKAYPU-UHFFFAOYSA-N
XLogP0.28
TPSA67.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one (CID 135294588) is 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one is CN1CCC(N2C=C(Nc3nccc(=O)[nH]3)CN2C)CC1.
What is the InChIKey of 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is NFNGKQYDHKAYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-18-7-4-12(5-8-18)20-10-11(9-19(20)2)16-14-15-6-3-13(21)17-14/h3,6,10,12H,4-5,7-9H2,1-2H3,(H2,15,16,17,21).
What are the key properties of 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one?
2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 290.37 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-(1-methylpiperidin-4-yl)-3H-pyrazol-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135294588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).