6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide

C22H24N4O3 — CID 112851430

IUPAC6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cc(OC)ccc2OC)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-4-12-23-22(27)18-14-20(26-21(25-18)15-8-6-5-7-9-15)24-17-13-16(28-2)10-11-19(17)29-3/h5-11,13-14H,4,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyFNSFVBPCDACFLI-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.04
Rot. Bonds8

About 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide

6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide (PubChem CID 112851430) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
PubChem CID112851430
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cc(OC)ccc2OC)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-4-12-23-22(27)18-14-20(26-21(25-18)15-8-6-5-7-9-15)24-17-13-16(28-2)10-11-19(17)29-3/h5-11,13-14H,4,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyFNSFVBPCDACFLI-UHFFFAOYSA-N
XLogP4.04
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 112851428
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851453
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851276
6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851799
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851418
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
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 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide (CID 112851430) is 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2cc(OC)ccc2OC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is FNSFVBPCDACFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-12-23-22(27)18-14-20(26-21(25-18)15-8-6-5-7-9-15)24-17-13-16(28-2)10-11-19(17)29-3/h5-11,13-14H,4,12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide?
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).