6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109347033

IUPAC6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2cc(C(=O)NCCc3ccccc3)ncn2)c1
InChIInChI=1S/C21H22N4O/c1-16-6-5-9-18(12-16)14-23-20-13-19(24-15-25-20)21(26)22-11-10-17-7-3-2-4-8-17/h2-9,12-13,15H,10-11,14H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyMTOLNJTVWOCZNT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.37
Rot. Bonds7

About 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109347033) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109347033
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2cc(C(=O)NCCc3ccccc3)ncn2)c1
InChIInChI=1S/C21H22N4O/c1-16-6-5-9-18(12-16)14-23-20-13-19(24-15-25-20)21(26)22-11-10-17-7-3-2-4-8-17/h2-9,12-13,15H,10-11,14H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyMTOLNJTVWOCZNT-UHFFFAOYSA-N
XLogP3.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109342637
6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109340230
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580
N-[2-(3-chlorophenyl)ethyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353519
6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350591
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109347033) is 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide is Cc1cccc(CNc2cc(C(=O)NCCc3ccccc3)ncn2)c1.
What is the InChIKey of 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is MTOLNJTVWOCZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-6-5-9-18(12-16)14-23-20-13-19(24-15-25-20)21(26)22-11-10-17-7-3-2-4-8-17/h2-9,12-13,15H,10-11,14H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).