6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide

C23H26N4O2 — CID 112852541

IUPAC6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC(C)CC)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-16(3)24-21-15-20(26-22(27-21)17-9-7-6-8-10-17)23(28)25-18-11-13-19(14-12-18)29-5-2/h6-16H,4-5H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyLKPHROSMXPUHTD-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.01
Rot. Bonds8

About 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852541) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852541
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC(C)CC)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-16(3)24-21-15-20(26-22(27-21)17-9-7-6-8-10-17)23(28)25-18-11-13-19(14-12-18)29-5-2/h6-16H,4-5H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyLKPHROSMXPUHTD-UHFFFAOYSA-N
XLogP5.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852605
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
2-phenyl-N-(4-propan-2-yloxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852058
6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852505
6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109297209
6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852508
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109362419
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide (CID 112852541) is 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(NC(C)CC)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is LKPHROSMXPUHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-16(3)24-21-15-20(26-22(27-21)17-9-7-6-8-10-17)23(28)25-18-11-13-19(14-12-18)29-5-2/h6-16H,4-5H2,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).