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

C11H19N3O2 — CID 136956304

IUPAC4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(CO)CC(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-7(2)4-9(6-15)14-10-5-11(16)13-8(3)12-10/h5,7,9,15H,4,6H2,1-3H3,(H2,12,13,14,16)
InChIKeyRUMYDMOAMRLGFC-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.90
Rot. Bonds5

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

4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956304) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956304
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(CO)CC(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-7(2)4-9(6-15)14-10-5-11(16)13-8(3)12-10/h5,7,9,15H,4,6H2,1-3H3,(H2,12,13,14,16)
InChIKeyRUMYDMOAMRLGFC-UHFFFAOYSA-N
XLogP0.90
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136956304) is 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC(CO)CC(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is RUMYDMOAMRLGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)4-9(6-15)14-10-5-11(16)13-8(3)12-10/h5,7,9,15H,4,6H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).