4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136674856

IUPAC4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H](C)N(C)CC2CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-10-8-13(18)16-14(15-10)11(2)17(3)9-12-4-6-19-7-5-12/h8,11-12H,4-7,9H2,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyWMNMKNLCZPSODI-NSHDSACASA-N
MW265.36 g/mol
LogP1.50
Rot. Bonds4

About 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one

4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 136674856) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
PubChem CID136674856
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H](C)N(C)CC2CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-10-8-13(18)16-14(15-10)11(2)17(3)9-12-4-6-19-7-5-12/h8,11-12H,4-7,9H2,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyWMNMKNLCZPSODI-NSHDSACASA-N
XLogP1.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one (CID 136674856) is 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H](C)N(C)CC2CCOCC2)n1.
What is the InChIKey of 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is WMNMKNLCZPSODI-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-8-13(18)16-14(15-10)11(2)17(3)9-12-4-6-19-7-5-12/h8,11-12H,4-7,9H2,1-3H3,(H,15,16,18)/t11-/m0/s1.
What are the key properties of 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one?
4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136674856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).