N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide

C23H26N4O — CID 112853999

IUPACN-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NC(C)(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-16-10-12-17(13-11-16)15-24-20-14-19(22(28)27-23(2,3)4)25-21(26-20)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyRSWXDOMIBFANIX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.59
Rot. Bonds5

About N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide

N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853999) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
PubChem CID112853999
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NC(C)(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-16-10-12-17(13-11-16)15-24-20-14-19(22(28)27-23(2,3)4)25-21(26-20)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyRSWXDOMIBFANIX-UHFFFAOYSA-N
XLogP4.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158
N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112854017
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852505
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide (CID 112853999) is N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide is Cc1ccc(CNc2cc(C(=O)NC(C)(C)C)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is RSWXDOMIBFANIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-10-12-17(13-11-16)15-24-20-14-19(22(28)27-23(2,3)4)25-21(26-20)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,27,28)(H,24,25,26).
What are the key properties of N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).