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

C11H17N3O2 — CID 136723605

IUPAC4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2cc(=O)[nH]cn2)CCOCC1
InChIInChI=1S/C11H17N3O2/c1-11(2-4-16-5-3-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyJARNKOCNIWOOEJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.00
Rot. Bonds3

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

4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136723605) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136723605
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2cc(=O)[nH]cn2)CCOCC1
InChIInChI=1S/C11H17N3O2/c1-11(2-4-16-5-3-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyJARNKOCNIWOOEJ-UHFFFAOYSA-N
XLogP1.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-methyloxan-4-yl)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-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
5-amino-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723600
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
5-chloro-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723603
5-bromo-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723606
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136739000
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219
4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819503
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857355
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864263
4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905792

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136723605) is 4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2cc(=O)[nH]cn2)CCOCC1.
What is the InChIKey of 4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is JARNKOCNIWOOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2-4-16-5-3-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136723605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).