4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one

C11H18N4O — CID 136726423

IUPAC4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-9-7-14(2)4-3-5-15(9)10-6-11(16)13-8-12-10/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,16)
InChIKeyZGAZEKZRNHABAX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.30
Rot. Bonds1

About 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one

4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one (PubChem CID 136726423) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
PubChem CID136726423
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-9-7-14(2)4-3-5-15(9)10-6-11(16)13-8-12-10/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,16)
InChIKeyZGAZEKZRNHABAX-UHFFFAOYSA-N
XLogP0.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,4]Diazepan-1-yl-6-methyl-3H-pyrimidin-4-one
CID 135417614
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
Ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
2-(1,4-diazepan-4-ium-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135459602
4-amino-2-(1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136077460
4-amino-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidin-6-one
CID 136326530
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 136562356
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
N-ethyl-N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136713575
5-chloro-4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726418
5-bromo-4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726419
4-(2,4-dimethyl-1,4-diazepan-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726420

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one (CID 136726423) is 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one is CC1CN(C)CCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one?
The InChIKey is ZGAZEKZRNHABAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-7-14(2)4-3-5-15(9)10-6-11(16)13-8-12-10/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,16).
What are the key properties of 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one?
4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).