6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

C13H20N4O3 — CID 56903254

IUPAC6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCCC(N)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O3/c1-15-10(8-11(18)16(2)13(15)20)12(19)17-6-3-4-9(14)5-7-17/h8-9H,3-7,14H2,1-2H3
InChIKeyOCSLZBQUYRRQCL-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.96
Rot. Bonds1

About 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 56903254) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID56903254
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCCC(N)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O3/c1-15-10(8-11(18)16(2)13(15)20)12(19)17-6-3-4-9(14)5-7-17/h8-9H,3-7,14H2,1-2H3
InChIKeyOCSLZBQUYRRQCL-UHFFFAOYSA-N
XLogP-0.96
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 717800
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
6-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 56873791
N-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137640869
N-cyclohexyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137644281
N-octyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 153870611
N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 155547589
1-Fluoro-3-hexyl-2,6-dioxopyrimidine-4-carboxamide
CID 174579435
(2,6-dioxo(1,3-dihydropyrimidin-4-yl))-N-cyclohexylcarboxamide
CID 1084850
N-(5-diethylaminopentan-2-yl)-2,6-dioxo-3H-pyrimidine-4-carboxamide
CID 301456
6-{[(1R*,6S*)-9-methyl-3,9-diazabicyclo[4.2.1]non-3-yl]carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 56714088

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (CID 56903254) is 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(=O)N2CCCC(N)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OCSLZBQUYRRQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-15-10(8-11(18)16(2)13(15)20)12(19)17-6-3-4-9(14)5-7-17/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of -0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminoazepane-1-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 56903254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).