N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide

C21H28N4O2 — CID 137302194

IUPACN-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(C)c1nc(C(=O)NC(c2ccc(C3CC3)cc2)C(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C21H28N4O2/c1-21(2,3)18(15-10-8-14(9-11-15)13-6-7-13)24-19(27)16-12-17(26)23-20(22-16)25(4)5/h8-13,18H,6-7H2,1-5H3,(H,24,27)(H,22,23,26)
InChIKeyPGKRNWKTNJJRHF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.23
Rot. Bonds5

About N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide

N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137302194) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137302194
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(C)c1nc(C(=O)NC(c2ccc(C3CC3)cc2)C(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C21H28N4O2/c1-21(2,3)18(15-10-8-14(9-11-15)13-6-7-13)24-19(27)16-12-17(26)23-20(22-16)25(4)5/h8-13,18H,6-7H2,1-5H3,(H,24,27)(H,22,23,26)
InChIKeyPGKRNWKTNJJRHF-UHFFFAOYSA-N
XLogP3.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982992
N-[cyclopropyl-[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302091
2-cyclopropyl-N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982737
2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302195
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982694
N-[2,2-dimethyl-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 144874330
2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162874
2-(dimethylamino)-N-[(R)-(1-methylcyclopropyl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162817
2-(dimethylamino)-N-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162810
N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982952
4-[(3R)-3-(4-tert-butylphenyl)-3-(1-methylcyclopropyl)propanoyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 158975215
N-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137146211

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide (CID 137302194) is N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide is CN(C)c1nc(C(=O)NC(c2ccc(C3CC3)cc2)C(C)(C)C)cc(=O)[nH]1.
What is the InChIKey of N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is PGKRNWKTNJJRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-21(2,3)18(15-10-8-14(9-11-15)13-6-7-13)24-19(27)16-12-17(26)23-20(22-16)25(4)5/h8-13,18H,6-7H2,1-5H3,(H,24,27)(H,22,23,26).
What are the key properties of N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137302194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).