N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide

C23H26N4O — CID 109256679

IUPACN-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C23H26N4O/c1-23(2,3)19-10-12-20(13-11-19)26-22-24-14-18(15-25-22)21(28)27(4)16-17-8-6-5-7-9-17/h5-15H,16H2,1-4H3,(H,24,25,26)
InChIKeyNMFHBZUFJWEICC-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.79
Rot. Bonds5

About N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide

N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide (PubChem CID 109256679) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide
PubChem CID109256679
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C23H26N4O/c1-23(2,3)19-10-12-20(13-11-19)26-22-24-14-18(15-25-22)21(28)27(4)16-17-8-6-5-7-9-17/h5-15H,16H2,1-4H3,(H,24,25,26)
InChIKeyNMFHBZUFJWEICC-UHFFFAOYSA-N
XLogP4.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide
CID 109256693
N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247874
N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
CID 109256739
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide (CID 109256679) is N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is NMFHBZUFJWEICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2,3)19-10-12-20(13-11-19)26-22-24-14-18(15-25-22)21(28)27(4)16-17-8-6-5-7-9-17/h5-15H,16H2,1-4H3,(H,24,25,26).
What are the key properties of N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide?
N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109256679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).