6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

C23H26N4O — CID 112852515

IUPAC6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-3-17(2)25-21-16-20(26-22(27-21)19-12-8-5-9-13-19)23(28)24-15-14-18-10-6-4-7-11-18/h4-13,16-17H,3,14-15H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyKUJCPTKHHLVPPJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.33
Rot. Bonds8

About 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 112852515) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID112852515
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-3-17(2)25-21-16-20(26-22(27-21)19-12-8-5-9-13-19)23(28)24-15-14-18-10-6-4-7-11-18/h4-13,16-17H,3,14-15H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyKUJCPTKHHLVPPJ-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852505
6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852508
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852541
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851276
6-(butan-2-ylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82170035
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 112852515) is 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)NCCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is KUJCPTKHHLVPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-17(2)25-21-16-20(26-22(27-21)19-12-8-5-9-13-19)23(28)24-15-14-18-10-6-4-7-11-18/h4-13,16-17H,3,14-15H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112852515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).