4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one

C19H25N5O2 — CID 70711285

IUPAC4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCCN(Cc3ccncc3)CC2)c(=O)n1
InChIInChI=1S/C19H25N5O2/c1-15-12-16(2)24(19(26)21-15)14-18(25)23-9-3-8-22(10-11-23)13-17-4-6-20-7-5-17/h4-7,12H,3,8-11,13-14H2,1-2H3
InChIKeyQMFUGTZMGWJCPB-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.99
Rot. Bonds4

About 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one (PubChem CID 70711285) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one
PubChem CID70711285
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCCN(Cc3ccncc3)CC2)c(=O)n1
InChIInChI=1S/C19H25N5O2/c1-15-12-16(2)24(19(26)21-15)14-18(25)23-9-3-8-22(10-11-23)13-17-4-6-20-7-5-17/h4-7,12H,3,8-11,13-14H2,1-2H3
InChIKeyQMFUGTZMGWJCPB-UHFFFAOYSA-N
XLogP0.99
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one with MolForge

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Related Compounds

1-[4-(5-benzyl-1,5-diazacycloundec-1-yl)-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
CID 133066256
2-(3-chlorophenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 70741660
1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 154763216
2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823811
(4-chloro-3-methylphenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70719369
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 112801401
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70786553
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
1-[2-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 91782442
(2-methylfuran-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70727890
6-methyl-2-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]pyridazin-3-one
CID 86885100
1H-pyrazol-5-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 86284090

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one (CID 70711285) is 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one is Cc1cc(C)n(CC(=O)N2CCCN(Cc3ccncc3)CC2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one?
The InChIKey is QMFUGTZMGWJCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15-12-16(2)24(19(26)21-15)14-18(25)23-9-3-8-22(10-11-23)13-17-4-6-20-7-5-17/h4-7,12H,3,8-11,13-14H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one has a molecular weight of 355.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one is sourced from PubChem (CID 70711285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).