5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione

C15H24N4O3 — CID 95932662

IUPAC5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)C[C@H]1CCCCCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C15H24N4O3/c1-9(2)8-10-6-4-3-5-7-19(10)14(21)12-11(16)13(20)18-15(22)17-12/h9-10H,3-8,16H2,1-2H3,(H2,17,18,20,22)/t10-/m1/s1
InChIKeyITGSSHCSWPDBGT-SNVBAGLBSA-N
MW308.38 g/mol
LogP1.08
Rot. Bonds3

About 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione

5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 95932662) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID95932662
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)C[C@H]1CCCCCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C15H24N4O3/c1-9(2)8-10-6-4-3-5-7-19(10)14(21)12-11(16)13(20)18-15(22)17-12/h9-10H,3-8,16H2,1-2H3,(H2,17,18,20,22)/t10-/m1/s1
InChIKeyITGSSHCSWPDBGT-SNVBAGLBSA-N
XLogP1.08
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-(2-methylpropyl)acetamide
CID 2406569
6-Amino-5-(6-methylheptan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 4878520
6-amino-1-methyl-5-((1-((trans)-4-methylcyclohexyl)ethyl)amino)pyrimidine-2,4(1H,3H)-dione
CID 118558977
6-amino-5-[[(2S)-6-methylheptan-2-yl]amino]-1-propylpyrimidine-2,4-dione
CID 2454120
6-amino-5-[[(2R)-6-methylheptan-2-yl]amino]-1-propylpyrimidine-2,4-dione
CID 2454122
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cycloheptyl(methyl)amino]acetamide
CID 16577832
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide
CID 27131775
6-Amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60648913
6-Amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60648943
6-Amino-1-butyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione
CID 60648971
6-Amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60648972
6-Amino-5-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60648973

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 95932662) is 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione is CC(C)C[C@H]1CCCCCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ITGSSHCSWPDBGT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-9(2)8-10-6-4-3-5-7-19(10)14(21)12-11(16)13(20)18-15(22)17-12/h9-10H,3-8,16H2,1-2H3,(H2,17,18,20,22)/t10-/m1/s1.
What are the key properties of 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 308.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2R)-2-(2-methylpropyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95932662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).