4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136957868

IUPAC4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCOCC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-14(7-9-2-4-16-5-3-9)10-6-11(15)13-8-12-10/h6,8-9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyDHNJLISZAXNAQO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds3

About 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one

4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957868) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957868
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCOCC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-14(7-9-2-4-16-5-3-9)10-6-11(15)13-8-12-10/h6,8-9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyDHNJLISZAXNAQO-UHFFFAOYSA-N
XLogP0.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136957868) is 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one is CN(CC1CCOCC1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DHNJLISZAXNAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(7-9-2-4-16-5-3-9)10-6-11(15)13-8-12-10/h6,8-9H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).