5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one

C12H18N4O2 — CID 91766559

IUPAC5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC(N)CC2)c(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-8-14-7-10(11(17)15-8)12(18)16-5-2-3-9(13)4-6-16/h7,9H,2-6,13H2,1H3,(H,14,15,17)
InChIKeyVWPIZBGYHJHGGO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.03
Rot. Bonds1

About 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one

5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 91766559) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID91766559
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC(N)CC2)c(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-8-14-7-10(11(17)15-8)12(18)16-5-2-3-9(13)4-6-16/h7,9H,2-6,13H2,1H3,(H,14,15,17)
InChIKeyVWPIZBGYHJHGGO-UHFFFAOYSA-N
XLogP0.03
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Carbamoyl-4-oxo-4,6,7,8,9,10-hexahydro-pyrimido[1,2-a]azepine
CID 12210260
2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide
CID 13066359
1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide
CID 20488275
N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 50976814
N-[rel-(1R,3R)-3-aminocyclopentyl]-2-isopropyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 56749058
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567
2-Methyl-5-{[3-(2-methylpiperidin-1-yl)azetidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72877288
2-(azepan-2-ylmethyl)-5-methyl-1H-pyrimidin-6-one
CID 84686961
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
N-(2-azepan-1-ylethyl)-N-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91779967
5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896274

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one (CID 91766559) is 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCCC(N)CC2)c(=O)[nH]1.
What is the InChIKey of 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VWPIZBGYHJHGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-14-7-10(11(17)15-8)12(18)16-5-2-3-9(13)4-6-16/h7,9H,2-6,13H2,1H3,(H,14,15,17).
What are the key properties of 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminoazepane-1-carbonyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 91766559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).