6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109357654

IUPAC6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14(2)15-5-7-16(8-6-15)26-22(27)18-12-21(24-13-23-18)25-17-9-10-19(28-3)20(11-17)29-4/h5-14H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyFFMVTRMAJMXPKB-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.61
Rot. Bonds7

About 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357654) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109357654
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14(2)15-5-7-16(8-6-15)26-22(27)18-12-21(24-13-23-18)25-17-9-10-19(28-3)20(11-17)29-4/h5-14H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyFFMVTRMAJMXPKB-UHFFFAOYSA-N
XLogP4.61
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
5-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109198682
N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357948
6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357619
6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357655
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
6-(2-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357645

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109357654) is 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ncn2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is FFMVTRMAJMXPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)15-5-7-16(8-6-15)26-22(27)18-12-21(24-13-23-18)25-17-9-10-19(28-3)20(11-17)29-4/h5-14H,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).