2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide

C23H26N4O2 — CID 112851428

IUPAC2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccccc2OC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-4-14-24-23(28)19-15-21(27-22(26-19)17-10-6-5-7-11-17)25-18-12-8-9-13-20(18)29-16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyQEPPLUZFDAHQEH-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.81
Rot. Bonds8

About 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide

2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 112851428) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID112851428
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccccc2OC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-4-14-24-23(28)19-15-21(27-22(26-19)17-10-6-5-7-11-17)25-18-12-8-9-13-20(18)29-16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyQEPPLUZFDAHQEH-UHFFFAOYSA-N
XLogP4.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430
6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851453
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056
6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851418
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853682
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
N-(3-phenylpropyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353608
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851443

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide (CID 112851428) is 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2ccccc2OC(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is QEPPLUZFDAHQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-14-24-23(28)19-15-21(27-22(26-19)17-10-6-5-7-11-17)25-18-12-8-9-13-20(18)29-16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide?
2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).