1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone

C20H31N5O — CID 110262216

IUPAC1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1nc2c(c(NC3CCCC3)n1)CN(C)CC2
InChIInChI=1S/C20H31N5O/c1-14(26)25-11-6-5-9-18(25)20-22-17-10-12-24(2)13-16(17)19(23-20)21-15-7-3-4-8-15/h15,18H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyKKMSVHNGPQXVJH-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone

1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110262216) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID110262216
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1nc2c(c(NC3CCCC3)n1)CN(C)CC2
InChIInChI=1S/C20H31N5O/c1-14(26)25-11-6-5-9-18(25)20-22-17-10-12-24(2)13-16(17)19(23-20)21-15-7-3-4-8-15/h15,18H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyKKMSVHNGPQXVJH-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 71696040
1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclobutylmethanone
CID 89752448
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 89752453
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
N-ethyl-N-methyl-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 46050203
N,N-Dimethyl-2-(4-methylpiperidin-1-YL)-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-4-amine
CID 46050212
2-(4-Cyclohexylpiperazin-1-YL)-N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-4-amine
CID 46050226
1-{[1-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methyl}pyrrolidin-2-one
CID 46988620
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
8-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 50983075
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 110262216) is 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1nc2c(c(NC3CCCC3)n1)CN(C)CC2.
What is the InChIKey of 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is KKMSVHNGPQXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-14(26)25-11-6-5-9-18(25)20-22-17-10-12-24(2)13-16(17)19(23-20)21-15-7-3-4-8-15/h15,18H,3-13H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 357.50 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopentylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110262216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).