4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one

C9H16N4O2 — CID 136870571

IUPAC4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(CN)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H16N4O2/c1-6-11-8(3-9(14)12-6)13-7(4-10)5-15-2/h3,7H,4-5,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyPAIRJNHCWDIXHV-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.54
Rot. Bonds5

About 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136870571) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136870571
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(CN)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H16N4O2/c1-6-11-8(3-9(14)12-6)13-7(4-10)5-15-2/h3,7H,4-5,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyPAIRJNHCWDIXHV-UHFFFAOYSA-N
XLogP-0.54
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 ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136870571) is 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one is COCC(CN)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PAIRJNHCWDIXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-11-8(3-9(14)12-6)13-7(4-10)5-15-2/h3,7H,4-5,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).