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

C21H23N5O — CID 112852514

IUPAC6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCc2ccncc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O/c1-3-15(2)24-19-13-18(21(27)23-14-16-9-11-22-12-10-16)25-20(26-19)17-7-5-4-6-8-17/h4-13,15H,3,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyYWANQURANHNHQO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.68
Rot. Bonds7

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

6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 112852514) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID112852514
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCc2ccncc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O/c1-3-15(2)24-19-13-18(21(27)23-14-16-9-11-22-12-10-16)25-20(26-19)17-7-5-4-6-8-17/h4-13,15H,3,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyYWANQURANHNHQO-UHFFFAOYSA-N
XLogP3.68
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852505
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852508
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112854155
6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852541
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 94750026
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(butan-2-ylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82170035

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 112852514) is 6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)NCc2ccncc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is YWANQURANHNHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-15(2)24-19-13-18(21(27)23-14-16-9-11-22-12-10-16)25-20(26-19)17-7-5-4-6-8-17/h4-13,15H,3,14H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112852514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).