2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine

C19H23N7 — CID 124998938

IUPAC2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc([C@H]2CCCCN2Cc2ccn[nH]2)n1
InChIInChI=1S/C19H23N7/c1-14-22-16(12-19(23-14)24-18-7-2-4-9-20-18)17-6-3-5-11-26(17)13-15-8-10-21-25-15/h2,4,7-10,12,17H,3,5-6,11,13H2,1H3,(H,21,25)(H,20,22,23,24)/t17-/m1/s1
InChIKeyRLJOLQNJQWSPNY-QGZVFWFLSA-N
MW349.44 g/mol
LogP3.37
Rot. Bonds5

About 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine

2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 124998938) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID124998938
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc([C@H]2CCCCN2Cc2ccn[nH]2)n1
InChIInChI=1S/C19H23N7/c1-14-22-16(12-19(23-14)24-18-7-2-4-9-20-18)17-6-3-5-11-26(17)13-15-8-10-21-25-15/h2,4,7-10,12,17H,3,5-6,11,13H2,1H3,(H,21,25)(H,20,22,23,24)/t17-/m1/s1
InChIKeyRLJOLQNJQWSPNY-QGZVFWFLSA-N
XLogP3.37
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 124998938) is 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ccccn2)cc([C@H]2CCCCN2Cc2ccn[nH]2)n1.
What is the InChIKey of 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is RLJOLQNJQWSPNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N7/c1-14-22-16(12-19(23-14)24-18-7-2-4-9-20-18)17-6-3-5-11-26(17)13-15-8-10-21-25-15/h2,4,7-10,12,17H,3,5-6,11,13H2,1H3,(H,21,25)(H,20,22,23,24)/t17-/m1/s1.
What are the key properties of 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine?
2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 124998938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).