N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109313745

IUPACN-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H22N4O2/c1-14(2)27-19-11-7-6-10-17(19)24-21-22-13-12-18(25-21)20(26)23-16-9-5-4-8-15(16)3/h4-14H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyZRWRXHUEOFMQOT-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.57
Rot. Bonds6

About N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109313745) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109313745
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H22N4O2/c1-14(2)27-19-11-7-6-10-17(19)24-21-22-13-12-18(25-21)20(26)23-16-9-5-4-8-15(16)3/h4-14H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyZRWRXHUEOFMQOT-UHFFFAOYSA-N
XLogP4.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109315206
6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109334845
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
N-(3-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317966
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056
N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311906
2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313797
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296974

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109313745) is N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is Cc1ccccc1NC(=O)c1ccnc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is ZRWRXHUEOFMQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)27-19-11-7-6-10-17(19)24-21-22-13-12-18(25-21)20(26)23-16-9-5-4-8-15(16)3/h4-14H,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).