N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

C21H22N4O — CID 109303959

IUPACN-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccccc3C)n2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-8-9-18(16(3)12-14)24-20(26)19-10-11-22-21(25-19)23-13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyIDSYDAVYEWZXSB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.27
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109303959) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109303959
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccccc3C)n2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-8-9-18(16(3)12-14)24-20(26)19-10-11-22-21(25-19)23-13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyIDSYDAVYEWZXSB-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307504
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785
2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305976
2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109303969
2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109296399
N-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299687
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303992
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118046

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109303959) is N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCc3ccccc3C)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is IDSYDAVYEWZXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-8-9-18(16(3)12-14)24-20(26)19-10-11-22-21(25-19)23-13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109303959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).