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

C21H21N5O2 — CID 109259469

IUPAC2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)c1
InChIInChI=1S/C21H21N5O2/c1-15(27)25-18-8-5-9-19(12-18)26-21-23-13-17(14-24-21)20(28)22-11-10-16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeySIWVWWARUGRKFZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.15
Rot. Bonds7

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

2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109259469) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109259469
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)c1
InChIInChI=1S/C21H21N5O2/c1-15(27)25-18-8-5-9-19(12-18)26-21-23-13-17(14-24-21)20(28)22-11-10-16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeySIWVWWARUGRKFZ-UHFFFAOYSA-N
XLogP3.15
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263460
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447
2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256972
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 109259469) is 2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is CC(=O)Nc1cccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is SIWVWWARUGRKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15(27)25-18-8-5-9-19(12-18)26-21-23-13-17(14-24-21)20(28)22-11-10-16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,22,28)(H,25,27)(H,23,24,26).
What are the key properties of 2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).