5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C9H16N4O2 — CID 136975203

IUPAC5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-6(4-15-2)3-11-8-7(10)9(14)13-5-12-8/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyXFEVYZYTCOODCS-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.05
Rot. Bonds5

About 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136975203) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136975203
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-6(4-15-2)3-11-8-7(10)9(14)13-5-12-8/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyXFEVYZYTCOODCS-UHFFFAOYSA-N
XLogP0.05
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136912678
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
CID 115657236
5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136961736
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093
5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
3-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-5-methylhexanoic acid
CID 136959119

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136975203) is 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is COCC(C)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XFEVYZYTCOODCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(4-15-2)3-11-8-7(10)9(14)13-5-12-8/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).