6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

C23H26N4O — CID 112848571

IUPAC6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-16-24-20(22(28)27(5)19-9-7-6-8-10-19)15-21(25-16)26-18-13-11-17(12-14-18)23(2,3)4/h6-15H,1-5H3,(H,24,25,26)
InChIKeyMDCZXIVUEJBTHH-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.10
Rot. Bonds4

About 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 112848571) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID112848571
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-16-24-20(22(28)27(5)19-9-7-6-8-10-19)15-21(25-16)26-18-13-11-17(12-14-18)23(2,3)4/h6-15H,1-5H3,(H,24,25,26)
InChIKeyMDCZXIVUEJBTHH-UHFFFAOYSA-N
XLogP5.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848573
6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848621
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848578
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109373626
N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848591
6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370894
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
6-[(2-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370228

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 112848571) is 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is MDCZXIVUEJBTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-24-20(22(28)27(5)19-9-7-6-8-10-19)15-21(25-16)26-18-13-11-17(12-14-18)23(2,3)4/h6-15H,1-5H3,(H,24,25,26).
What are the key properties of 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).