(4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C24H22N2O2 — CID 6990662

IUPAC(4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(C2=C(Cc3ccccc3)[C@H](c3ccccc3)NC(=O)N2)cc1
InChIInChI=1S/C24H22N2O2/c1-28-20-14-12-19(13-15-20)23-21(16-17-8-4-2-5-9-17)22(25-24(27)26-23)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3,(H2,25,26,27)/t22-/m0/s1
InChIKeyHYVCMCSMSYHZRF-QFIPXVFZSA-N
MW370.45 g/mol
LogP4.70
Rot. Bonds5

About (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

(4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 6990662) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID6990662
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(C2=C(Cc3ccccc3)[C@H](c3ccccc3)NC(=O)N2)cc1
InChIInChI=1S/C24H22N2O2/c1-28-20-14-12-19(13-15-20)23-21(16-17-8-4-2-5-9-17)22(25-24(27)26-23)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3,(H2,25,26,27)/t22-/m0/s1
InChIKeyHYVCMCSMSYHZRF-QFIPXVFZSA-N
XLogP4.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[4-[benzyl(ethyl)amino]phenyl]-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845549
propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844413
methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate
CID 42612770
ethyl 4,6-bis(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864538
propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843831
(4R)-4-(4-methoxyphenyl)-6-(2-phenylethyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 41014590
methyl 2-oxo-6-phenyl-4-[4-(3-phenylpropoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845591
ethyl 4-(2-hydroxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842622
ethyl (4S)-4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1108932
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 42651997
(5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 29134316

Frequently Asked Questions

What is the IUPAC name of (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 6990662) is (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is COc1ccc(C2=C(Cc3ccccc3)[C@H](c3ccccc3)NC(=O)N2)cc1.
What is the InChIKey of (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is HYVCMCSMSYHZRF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-28-20-14-12-19(13-15-20)23-21(16-17-8-4-2-5-9-17)22(25-24(27)26-23)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3,(H2,25,26,27)/t22-/m0/s1.
What are the key properties of (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
(4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 370.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 6990662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).