5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one

C9H17N5O2 — CID 136901093

IUPAC5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CCN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O2/c1-16-4-6(2-3-10)14-8-7(11)9(15)13-5-12-8/h5-6H,2-4,10-11H2,1H3,(H2,12,13,14,15)
InChIKeyLZHWOUPKYZNAKB-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.87
Rot. Bonds6

About 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136901093) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136901093
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CCN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O2/c1-16-4-6(2-3-10)14-8-7(11)9(15)13-5-12-8/h5-6H,2-4,10-11H2,1H3,(H2,12,13,14,15)
InChIKeyLZHWOUPKYZNAKB-UHFFFAOYSA-N
XLogP-0.87
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one 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

5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
CID 137008764
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136870582
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid
CID 136959366
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136901093) is 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one is COCC(CCN)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is LZHWOUPKYZNAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-16-4-6(2-3-10)14-8-7(11)9(15)13-5-12-8/h5-6H,2-4,10-11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 227.27 g/mol, XLogP of -0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136901093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).