2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

C11H19N3O — CID 136757516

IUPAC2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O/c1-5-11(4,6-2)14-9-7-10(15)13-8(3)12-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyWJRNWPCTCHFKRG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136757516) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136757516
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O/c1-5-11(4,6-2)14-9-7-10(15)13-8(3)12-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyWJRNWPCTCHFKRG-UHFFFAOYSA-N
XLogP2.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (CID 136757516) is 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is CCC(C)(CC)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is WJRNWPCTCHFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-11(4,6-2)14-9-7-10(15)13-8(3)12-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136757516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).