2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C22H24N4O2 — CID 109314998

IUPAC2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccc(OC(C)C)cc3)n2)cc1C
InChIInChI=1S/C22H24N4O2/c1-14(2)28-19-9-7-17(8-10-19)24-21(27)20-11-12-23-22(26-20)25-18-6-5-15(3)16(4)13-18/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyCWKAJIMMRTUOAP-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.88
Rot. Bonds6

About 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109314998) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109314998
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccc(OC(C)C)cc3)n2)cc1C
InChIInChI=1S/C22H24N4O2/c1-14(2)28-19-9-7-17(8-10-19)24-21(27)20-11-12-23-22(26-20)25-18-6-5-15(3)16(4)13-18/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyCWKAJIMMRTUOAP-UHFFFAOYSA-N
XLogP4.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317120
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109314974
N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109318006
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
2-(2,4-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109318014
2-(3-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317046
N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294858
N-(2-chlorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316775

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109314998) is 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)Nc3ccc(OC(C)C)cc3)n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is CWKAJIMMRTUOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)28-19-9-7-17(8-10-19)24-21(27)20-11-12-23-22(26-20)25-18-6-5-15(3)16(4)13-18/h5-14H,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).