N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide

C22H24N4O2 — CID 112852605

IUPACN-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-4-15(2)23-22(27)19-14-20(24-17-10-12-18(28-3)13-11-17)26-21(25-19)16-8-6-5-7-9-16/h5-15H,4H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyBEFKNXSIQRCJSX-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.42
Rot. Bonds7

About N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide

N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852605) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852605
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-4-15(2)23-22(27)19-14-20(24-17-10-12-18(28-3)13-11-17)26-21(25-19)16-8-6-5-7-9-16/h5-15H,4H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyBEFKNXSIQRCJSX-UHFFFAOYSA-N
XLogP4.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide
CID 112852608
N-butan-2-yl-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851959
6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852541
N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109321493
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852599
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362633
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide (CID 112852605) is N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccc(OC)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is BEFKNXSIQRCJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-15(2)23-22(27)19-14-20(24-17-10-12-18(28-3)13-11-17)26-21(25-19)16-8-6-5-7-9-16/h5-15H,4H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide?
N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).