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

C11H20N4O — CID 136757097

IUPAC4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC(C)(CCN)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H20N4O/c1-4-11(3,5-6-12)15-9-7-10(16)14-8(2)13-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyQKQKVGXJFYMFPO-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.01
Rot. Bonds5

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

4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136757097) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136757097
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC(C)(CCN)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H20N4O/c1-4-11(3,5-6-12)15-9-7-10(16)14-8(2)13-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyQKQKVGXJFYMFPO-UHFFFAOYSA-N
XLogP1.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136757097) is 4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one is CCC(C)(CCN)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QKQKVGXJFYMFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-11(3,5-6-12)15-9-7-10(16)14-8(2)13-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136757097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).