4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 136957982

IUPAC4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC(C)(C)O)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-11-8(5-9(14)12-7)13(4)6-10(2,3)15/h5,15H,6H2,1-4H3,(H,11,12,14)
InChIKeyBMTBIKMYMJWFIL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.29
Rot. Bonds3

About 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957982) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957982
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC(C)(C)O)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-11-8(5-9(14)12-7)13(4)6-10(2,3)15/h5,15H,6H2,1-4H3,(H,11,12,14)
InChIKeyBMTBIKMYMJWFIL-UHFFFAOYSA-N
XLogP0.29
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136957982) is 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)CC(C)(C)O)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BMTBIKMYMJWFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-11-8(5-9(14)12-7)13(4)6-10(2,3)15/h5,15H,6H2,1-4H3,(H,11,12,14).
What are the key properties of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).