(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone

C21H23N5O — CID 109323235

IUPAC(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C)CC2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C21H23N5O/c1-14-8-11-26(12-9-14)20(27)18-13-15(2)23-21(25-18)24-17-7-3-5-16-6-4-10-22-19(16)17/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,23,24,25)
InChIKeyHWCWRJWPALKNHQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.95
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone (PubChem CID 109323235) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone
PubChem CID109323235
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C)CC2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C21H23N5O/c1-14-8-11-26(12-9-14)20(27)18-13-15(2)23-21(25-18)24-17-7-3-5-16-6-4-10-22-19(16)17/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,23,24,25)
InChIKeyHWCWRJWPALKNHQ-UHFFFAOYSA-N
XLogP3.95
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109323210
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109332196
5-(4-methylpiperidine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109103274
6-methyl-2-(2-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109334786
[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321826
[2-(2,3-dimethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325929
N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109336437
6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109330522
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325918
[2-(2-chloroanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299236
[2-(2,6-dichloroanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321897
N-[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112924004

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone (CID 109323235) is (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCC(C)CC2)nc(Nc2cccc3cccnc23)n1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone?
The InChIKey is HWCWRJWPALKNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-8-11-26(12-9-14)20(27)18-13-15(2)23-21(25-18)24-17-7-3-5-16-6-4-10-22-19(16)17/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,23,24,25).
What are the key properties of (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109323235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).