4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one

C21H23N3O — CID 136914099

IUPAC4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN[C@H](c2ccccc2)c2ccc(C)cc2)n1
InChIInChI=1S/C21H23N3O/c1-3-18-13-20(25)24-19(23-18)14-22-21(16-7-5-4-6-8-16)17-11-9-15(2)10-12-17/h4-13,21-22H,3,14H2,1-2H3,(H,23,24,25)/t21-/m1/s1
InChIKeyCSFSUUKBMSTRPC-OAQYLSRUSA-N
MW333.44 g/mol
LogP3.52
Rot. Bonds6

About 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one (PubChem CID 136914099) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one
PubChem CID136914099
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN[C@H](c2ccccc2)c2ccc(C)cc2)n1
InChIInChI=1S/C21H23N3O/c1-3-18-13-20(25)24-19(23-18)14-22-21(16-7-5-4-6-8-16)17-11-9-15(2)10-12-17/h4-13,21-22H,3,14H2,1-2H3,(H,23,24,25)/t21-/m1/s1
InChIKeyCSFSUUKBMSTRPC-OAQYLSRUSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-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-ethyl-2-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one
CID 136514512
7-chloro-2-[[[(S)-(4-methylphenyl)-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809534
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-[(4-methylphenyl)-phenylmethyl]octan-1-amine
CID 3847928
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421
2-[(benzhydrylamino)methyl]-6,8-dibromo-3H-quinazolin-4-one
CID 135457231
N-(4-methylphenyl)-2-[4-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78788068
4-(chloromethyl)-2-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135978457
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
2-[[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135729616

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one (CID 136914099) is 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CN[C@H](c2ccccc2)c2ccc(C)cc2)n1.
What is the InChIKey of 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one?
The InChIKey is CSFSUUKBMSTRPC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-18-13-20(25)24-19(23-18)14-22-21(16-7-5-4-6-8-16)17-11-9-15(2)10-12-17/h4-13,21-22H,3,14H2,1-2H3,(H,23,24,25)/t21-/m1/s1.
What are the key properties of 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one has a molecular weight of 333.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[[(R)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136914099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).