1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone

C27H38N6O2 — CID 42682864

IUPAC1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
SMILESCN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C27H38N6O2/c1-30(2)26-23-19-33(25(34)20-35-22-11-7-4-8-12-22)14-13-24(23)28-27(29-26)32-17-15-31(16-18-32)21-9-5-3-6-10-21/h4,7-8,11-12,21H,3,5-6,9-10,13-20H2,1-2H3
InChIKeyKMFZSAZVSJKKOE-UHFFFAOYSA-N
MW478.64 g/mol
LogP2.96
Rot. Bonds6

About 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone

1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone (PubChem CID 42682864) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
PubChem CID42682864
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
SMILESCN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C27H38N6O2/c1-30(2)26-23-19-33(25(34)20-35-22-11-7-4-8-12-22)14-13-24(23)28-27(29-26)32-17-15-31(16-18-32)21-9-5-3-6-10-21/h4,7-8,11-12,21H,3,5-6,9-10,13-20H2,1-2H3
InChIKeyKMFZSAZVSJKKOE-UHFFFAOYSA-N
XLogP2.96
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone with MolForge

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Related Compounds

1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 42855724
(2-chloro-3-pyridinyl)-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42870813
1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 42855493
2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050930
1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
CID 50980260
1-[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-naphthalen-2-yloxyethanone
CID 59669981
(2S)-1-[4-(dimethylamino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 93001972
[4-(dimethylamino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46050696
benzyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 42855529
1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 17385067
[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methylphenyl)methanone
CID 46050652
1-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878195

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone (CID 42682864) is 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone is CN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CN(C(=O)COc1ccccc1)CC2.
What is the InChIKey of 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone?
The InChIKey is KMFZSAZVSJKKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-30(2)26-23-19-33(25(34)20-35-22-11-7-4-8-12-22)14-13-24(23)28-27(29-26)32-17-15-31(16-18-32)21-9-5-3-6-10-21/h4,7-8,11-12,21H,3,5-6,9-10,13-20H2,1-2H3.
What are the key properties of 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone?
1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone has a molecular weight of 478.64 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone is sourced from PubChem (CID 42682864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).