2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one

C10H17N3O — CID 136957231

IUPAC2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O/c1-5-10(3,4)13-8-6-9(14)12-7(2)11-8/h6H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyGZZBZPZUTZOHLV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one

2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136957231) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136957231
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O/c1-5-10(3,4)13-8-6-9(14)12-7(2)11-8/h6H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyGZZBZPZUTZOHLV-UHFFFAOYSA-N
XLogP1.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one (CID 136957231) is 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one is CCC(C)(C)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is GZZBZPZUTZOHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-5-10(3,4)13-8-6-9(14)12-7(2)11-8/h6H,5H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one?
2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).