2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C23H26N4O — CID 109304614

IUPAC2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(N(Cc3ccccc3)C(C)C)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17(2)27(16-20-7-5-4-6-8-20)23-24-14-13-21(26-23)22(28)25-15-19-11-9-18(3)10-12-19/h4-14,17H,15-16H2,1-3H3,(H,25,28)
InChIKeyITSVFNYWEXREEY-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.13
Rot. Bonds7

About 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109304614) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109304614
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(N(Cc3ccccc3)C(C)C)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17(2)27(16-20-7-5-4-6-8-20)23-24-14-13-21(26-23)22(28)25-15-19-11-9-18(3)10-12-19/h4-14,17H,15-16H2,1-3H3,(H,25,28)
InChIKeyITSVFNYWEXREEY-UHFFFAOYSA-N
XLogP4.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999
2-[benzyl(propan-2-yl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296184
2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109311637
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330248
N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311664
N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109304481
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
N-(3-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311663
N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295146
2-[benzyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257599
N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
CID 109117885
5-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282403

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109304614) is 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2ccnc(N(Cc3ccccc3)C(C)C)n2)cc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is ITSVFNYWEXREEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)27(16-20-7-5-4-6-8-20)23-24-14-13-21(26-23)22(28)25-15-19-11-9-18(3)10-12-19/h4-14,17H,15-16H2,1-3H3,(H,25,28).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).