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

C20H20N4O2 — CID 109313546

IUPACN-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(2)26-17-10-8-16(9-11-17)23-20-21-13-12-18(24-20)19(25)22-15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyGJLAJFGDMSWDEA-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.26
Rot. Bonds6

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

N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109313546) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109313546
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(2)26-17-10-8-16(9-11-17)23-20-21-13-12-18(24-20)19(25)22-15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyGJLAJFGDMSWDEA-UHFFFAOYSA-N
XLogP4.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
N-(2-chlorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316775
N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109314998
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109318006
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703
2-(3-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317046
N-(3-methylbutyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311907
2-(2,4-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109318014

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109313546) is N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)Oc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is GJLAJFGDMSWDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(2)26-17-10-8-16(9-11-17)23-20-21-13-12-18(24-20)19(25)22-15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).