2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

C20H20N4O — CID 109259417

IUPAC2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)c1
InChIInChI=1S/C20H20N4O/c1-15-6-5-9-18(12-15)24-20-22-13-17(14-23-20)19(25)21-11-10-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyQQIOMSZBPBKDGC-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.50
Rot. Bonds6

About 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109259417) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109259417
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)c1
InChIInChI=1S/C20H20N4O/c1-15-6-5-9-18(12-15)24-20-22-13-17(14-23-20)19(25)21-11-10-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyQQIOMSZBPBKDGC-UHFFFAOYSA-N
XLogP3.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106204
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109260339
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
CID 109255341

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 109259417) is 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is Cc1cccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is QQIOMSZBPBKDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-6-5-9-18(12-15)24-20-22-13-17(14-23-20)19(25)21-11-10-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).