4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

C22H31N5 — CID 110263318

IUPAC4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc(C2CCCN2CC(C)C)nc2c1CCCN2Cc1ccccn1
InChIInChI=1S/C22H31N5/c1-16(2)14-26-12-7-10-20(26)21-24-17(3)19-9-6-13-27(22(19)25-21)15-18-8-4-5-11-23-18/h4-5,8,11,16,20H,6-7,9-10,12-15H2,1-3H3
InChIKeyXKGWUOXOLPNKQB-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.93
Rot. Bonds5

About 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (PubChem CID 110263318) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
PubChem CID110263318
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc(C2CCCN2CC(C)C)nc2c1CCCN2Cc1ccccn1
InChIInChI=1S/C22H31N5/c1-16(2)14-26-12-7-10-20(26)21-24-17(3)19-9-6-13-27(22(19)25-21)15-18-8-4-5-11-23-18/h4-5,8,11,16,20H,6-7,9-10,12-15H2,1-3H3
InChIKeyXKGWUOXOLPNKQB-UHFFFAOYSA-N
XLogP3.93
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95832998
2-cyclopentyl-1-[(2R)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95833071
2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110263207
1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110263373
2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618628
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636192
(4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92621672
8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 92622054
4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630565
N,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 110263229
[(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95833764
4-methyl-8-(2-pyridin-2-ylethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 92636287

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (CID 110263318) is 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is Cc1nc(C2CCCN2CC(C)C)nc2c1CCCN2Cc1ccccn1.
What is the InChIKey of 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The InChIKey is XKGWUOXOLPNKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-16(2)14-26-12-7-10-20(26)21-24-17(3)19-9-6-13-27(22(19)25-21)15-18-8-4-5-11-23-18/h4-5,8,11,16,20H,6-7,9-10,12-15H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine has a molecular weight of 365.53 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 110263318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).