N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide

C23H25N3O2 — CID 99939494

IUPACN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide
SMILESCOc1ccccc1C[C@H](C)N(C)C(=O)c1cnc(C)nc1-c1ccccc1
InChIInChI=1S/C23H25N3O2/c1-16(14-19-12-8-9-13-21(19)28-4)26(3)23(27)20-15-24-17(2)25-22(20)18-10-6-5-7-11-18/h5-13,15-16H,14H2,1-4H3/t16-/m0/s1
InChIKeyWZLNJQSQGPTEGI-INIZCTEOSA-N
MW375.47 g/mol
LogP4.16
Rot. Bonds6

About N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide

N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 99939494) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide
PubChem CID99939494
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide
SMILESCOc1ccccc1C[C@H](C)N(C)C(=O)c1cnc(C)nc1-c1ccccc1
InChIInChI=1S/C23H25N3O2/c1-16(14-19-12-8-9-13-21(19)28-4)26(3)23(27)20-15-24-17(2)25-22(20)18-10-6-5-7-11-18/h5-13,15-16H,14H2,1-4H3/t16-/m0/s1
InChIKeyWZLNJQSQGPTEGI-INIZCTEOSA-N
XLogP4.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid
CID 146143174
N-[1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 71994211
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 96567463
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
CID 96567455
2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid
CID 95127217
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide
CID 122134623
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide (CID 99939494) is N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide is COc1ccccc1C[C@H](C)N(C)C(=O)c1cnc(C)nc1-c1ccccc1.
What is the InChIKey of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is WZLNJQSQGPTEGI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(14-19-12-8-9-13-21(19)28-4)26(3)23(27)20-15-24-17(2)25-22(20)18-10-6-5-7-11-18/h5-13,15-16H,14H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide?
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 99939494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).