N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C21H23N5O — CID 112852584

IUPACN-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O/c1-3-15(2)24-21(27)18-12-19(23-14-16-8-7-11-22-13-16)26-20(25-18)17-9-5-4-6-10-17/h4-13,15H,3,14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyDIEFGXBCRBKCTO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.68
Rot. Bonds7

About N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 112852584) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID112852584
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O/c1-3-15(2)24-21(27)18-12-19(23-14-16-8-7-11-22-13-16)26-20(25-18)17-9-5-4-6-10-17/h4-13,15H,3,14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyDIEFGXBCRBKCTO-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

N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
N-butan-2-yl-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851959
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854101
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112853570
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid
CID 82306341
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852605

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 112852584) is N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is DIEFGXBCRBKCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-15(2)24-21(27)18-12-19(23-14-16-8-7-11-22-13-16)26-20(25-18)17-9-5-4-6-10-17/h4-13,15H,3,14H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)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 N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112852584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).