4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one

C12H19N3O3 — CID 136981163

IUPAC4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC2(O)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-9-13-10(7-11(16)14-9)15(2)8-12(17)3-5-18-6-4-12/h7,17H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeySSFMBDRUVZVRQM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.06
Rot. Bonds3

About 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136981163) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136981163
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC2(O)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-9-13-10(7-11(16)14-9)15(2)8-12(17)3-5-18-6-4-12/h7,17H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeySSFMBDRUVZVRQM-UHFFFAOYSA-N
XLogP0.06
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-hydroxyoxan-4-yl)methyl-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

Related Compounds

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136675573
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136675576
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136749163
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136749165
4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136772454
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136864248
2-ethyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864250
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136864251
2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864255
2-methyl-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136956642
4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956752

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136981163) is 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)CC2(O)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SSFMBDRUVZVRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-13-10(7-11(16)14-9)15(2)8-12(17)3-5-18-6-4-12/h7,17H,3-6,8H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136981163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).