4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one

C10H15N3O2 — CID 136956644

IUPAC4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCOCC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-10-5-9(12-7-13-10)11-6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14)
InChIKeyHJPKCMZIMZSGOU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds3

About 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one

4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136956644) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136956644
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCOCC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-10-5-9(12-7-13-10)11-6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14)
InChIKeyHJPKCMZIMZSGOU-UHFFFAOYSA-N
XLogP0.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(oxan-4-ylmethylamino)-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-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
CID 103241621
4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586345
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-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219
4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786683
4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819503
2-methyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824103
4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905792
4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136956148
4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956247
4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956269

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one (CID 136956644) is 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one is O=c1cc(NCC2CCOCC2)nc[nH]1.
What is the InChIKey of 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is HJPKCMZIMZSGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10-5-9(12-7-13-10)11-6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14).
What are the key properties of 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one?
4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).