N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide

C18H23N3O — CID 99801523

IUPACN,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)[C@@H](C)c2ccccc2)c(C(C)C)n1
InChIInChI=1S/C18H23N3O/c1-12(2)17-16(11-19-14(4)20-17)18(22)21(5)13(3)15-9-7-6-8-10-15/h6-13H,1-5H3/t13-/m0/s1
InChIKeyOTZFMJZBWSPCMP-ZDUSSCGKSA-N
MW297.40 g/mol
LogP3.74
Rot. Bonds4

About N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide

N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 99801523) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID99801523
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)[C@@H](C)c2ccccc2)c(C(C)C)n1
InChIInChI=1S/C18H23N3O/c1-12(2)17-16(11-19-14(4)20-17)18(22)21(5)13(3)15-9-7-6-8-10-15/h6-13H,1-5H3/t13-/m0/s1
InChIKeyOTZFMJZBWSPCMP-ZDUSSCGKSA-N
XLogP3.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
2-iodo-N-methyl-N-(1-phenylethyl)benzamide
CID 60655087
2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120701441
methyl(1-phenylethyl)carbamic acid
CID 67062794
6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 103336949
N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124613889
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
CID 120744528
N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43054671
6-methoxy-N-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 134031462
N,1,3-trimethyl-N-[(1S)-1-phenylethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32909140
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide (CID 99801523) is N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)[C@@H](C)c2ccccc2)c(C(C)C)n1.
What is the InChIKey of N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is OTZFMJZBWSPCMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)17-16(11-19-14(4)20-17)18(22)21(5)13(3)15-9-7-6-8-10-15/h6-13H,1-5H3/t13-/m0/s1.
What are the key properties of N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide?
N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 99801523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).