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

C11H17N3O3 — CID 136999434

IUPAC4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(O)CCOCC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O3/c1-14(9-6-10(15)13-8-12-9)7-11(16)2-4-17-5-3-11/h6,8,16H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyPHINUOCQHXFTLQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.25
Rot. Bonds3

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

4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one (PubChem CID 136999434) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
PubChem CID136999434
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(O)CCOCC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O3/c1-14(9-6-10(15)13-8-12-9)7-11(16)2-4-17-5-3-11/h6,8,16H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyPHINUOCQHXFTLQ-UHFFFAOYSA-N
XLogP-0.25
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-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]-1H-pyrimidin-6-one
CID 136675570
4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723605
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136739000
4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749166
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864252
4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136956754
4-[(4-hydroxyoxan-4-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956947
5-bromo-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136956948
4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136956949
4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136957868
4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958110
2-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976512

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one (CID 136999434) is 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one is CN(CC1(O)CCOCC1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one?
The InChIKey is PHINUOCQHXFTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14(9-6-10(15)13-8-12-9)7-11(16)2-4-17-5-3-11/h6,8,16H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one?
4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of -0.25, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136999434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).