3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C26H32N6O — CID 10288263

IUPAC3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCCC(c1nc2c(c(=O)n1Cc1ccccc1)CCC2)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C26H32N6O/c1-2-23(30-15-8-16-31(18-17-30)26-27-13-7-14-28-26)24-29-22-12-6-11-21(22)25(33)32(24)19-20-9-4-3-5-10-20/h3-5,7,9-10,13-14,23H,2,6,8,11-12,15-19H2,1H3
InChIKeyDCTNUFMGFZBIIQ-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.23
Rot. Bonds6

About 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 10288263) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID10288263
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCCC(c1nc2c(c(=O)n1Cc1ccccc1)CCC2)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C26H32N6O/c1-2-23(30-15-8-16-31(18-17-30)26-27-13-7-14-28-26)24-29-22-12-6-11-21(22)25(33)32(24)19-20-9-4-3-5-10-20/h3-5,7,9-10,13-14,23H,2,6,8,11-12,15-19H2,1H3
InChIKeyDCTNUFMGFZBIIQ-UHFFFAOYSA-N
XLogP3.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

3-benzyl-2-[1-[3-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
CID 10153172
3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10194350
9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 110433935
3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one
CID 22058093
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
3-benzyl-6-fluoro-2-[1-(4-methylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 10237664
5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 10150545
N-(2-aminoethyl)-N-[1-(3-benzyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]-4-bromobenzamide
CID 10128383
4-[1-[1-benzyl-5-bromo-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]piperazine-1-carboxamide
CID 10029002
2-[4-[1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]piperazin-1-yl]acetic acid
CID 10216586
3-benzyl-2-[1-[2-(methylamino)ethyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 10127484

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 10288263) is 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is CCC(c1nc2c(c(=O)n1Cc1ccccc1)CCC2)N1CCCN(c2ncccn2)CC1.
What is the InChIKey of 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is DCTNUFMGFZBIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-2-23(30-15-8-16-31(18-17-30)26-27-13-7-14-28-26)24-29-22-12-6-11-21(22)25(33)32(24)19-20-9-4-3-5-10-20/h3-5,7,9-10,13-14,23H,2,6,8,11-12,15-19H2,1H3.
What are the key properties of 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 444.58 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 10288263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).