4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide

C20H26N4O — CID 129480454

IUPAC4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(C2CC2)n1
InChIInChI=1S/C20H26N4O/c1-13(19(24(3)4)16-8-6-5-7-9-16)22-20(25)17-12-21-14(2)23-18(17)15-10-11-15/h5-9,12-13,15,19H,10-11H2,1-4H3,(H,22,25)/t13-,19-/m0/s1
InChIKeyOYZIRKAUNSZXPM-DJJJIMSYSA-N
MW338.46 g/mol
LogP3.08
Rot. Bonds6

About 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide

4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 129480454) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID129480454
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(C2CC2)n1
InChIInChI=1S/C20H26N4O/c1-13(19(24(3)4)16-8-6-5-7-9-16)22-20(25)17-12-21-14(2)23-18(17)15-10-11-15/h5-9,12-13,15,19H,10-11H2,1-4H3,(H,22,25)/t13-,19-/m0/s1
InChIKeyOYZIRKAUNSZXPM-DJJJIMSYSA-N
XLogP3.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
4-(1-but-2-ynoylpiperidin-4-yl)-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 146072727
N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 99839436
N,N,2-trimethyl-4-[4-[(pyridine-2-carbonylamino)methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 98073085
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide
CID 124619228
4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide
CID 129358274
N-[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 97338063
N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 98073104
4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide
CID 154839096
4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide
CID 136539953
N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 99801523

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide (CID 129480454) is 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is OYZIRKAUNSZXPM-DJJJIMSYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13(19(24(3)4)16-8-6-5-7-9-16)22-20(25)17-12-21-14(2)23-18(17)15-10-11-15/h5-9,12-13,15,19H,10-11H2,1-4H3,(H,22,25)/t13-,19-/m0/s1.
What are the key properties of 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide?
4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 129480454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).