4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one

C24H25N3O2 — CID 135914872

IUPAC4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCOc1cccc([C@H]2CCN2Cc2ccc(-c3nc(C4CC4)cc(=O)[nH]3)cc2)c1
InChIInChI=1S/C24H25N3O2/c1-29-20-4-2-3-19(13-20)22-11-12-27(22)15-16-5-7-18(8-6-16)24-25-21(17-9-10-17)14-23(28)26-24/h2-8,13-14,17,22H,9-12,15H2,1H3,(H,25,26,28)/t22-/m1/s1
InChIKeyWYKUBRCLXUGOQX-JOCHJYFZSA-N
MW387.48 g/mol
LogP4.27
Rot. Bonds6

About 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one

4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one (PubChem CID 135914872) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
PubChem CID135914872
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCOc1cccc([C@H]2CCN2Cc2ccc(-c3nc(C4CC4)cc(=O)[nH]3)cc2)c1
InChIInChI=1S/C24H25N3O2/c1-29-20-4-2-3-19(13-20)22-11-12-27(22)15-16-5-7-18(8-6-16)24-25-21(17-9-10-17)14-23(28)26-24/h2-8,13-14,17,22H,9-12,15H2,1H3,(H,25,26,28)/t22-/m1/s1
InChIKeyWYKUBRCLXUGOQX-JOCHJYFZSA-N
XLogP4.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-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-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881746
[4-[[4-[2-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 136766157
4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one
CID 135887646
4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850293
5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77087919
2-(4-methoxyphenyl)-4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136766163
3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 28634815
4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135975552
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682160
4-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136797459
4-[1-[(3-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136673441

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one (CID 135914872) is 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one is COc1cccc([C@H]2CCN2Cc2ccc(-c3nc(C4CC4)cc(=O)[nH]3)cc2)c1.
What is the InChIKey of 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one?
The InChIKey is WYKUBRCLXUGOQX-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-20-4-2-3-19(13-20)22-11-12-27(22)15-16-5-7-18(8-6-16)24-25-21(17-9-10-17)14-23(28)26-24/h2-8,13-14,17,22H,9-12,15H2,1H3,(H,25,26,28)/t22-/m1/s1.
What are the key properties of 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one?
4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one has a molecular weight of 387.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135914872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).