2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide

C21H21N5O2 — CID 109315894

IUPAC2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2ccc(NC(C)=O)cc2)n1)c1ccccc1
InChIInChI=1S/C21H21N5O2/c1-3-26(18-7-5-4-6-8-18)20(28)19-13-14-22-21(25-19)24-17-11-9-16(10-12-17)23-15(2)27/h4-14H,3H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyKCCBNRNQRPVKOW-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.85
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide

2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109315894) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109315894
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2ccc(NC(C)=O)cc2)n1)c1ccccc1
InChIInChI=1S/C21H21N5O2/c1-3-26(18-7-5-4-6-8-18)20(28)19-13-14-22-21(25-19)24-17-11-9-16(10-12-17)23-15(2)27/h4-14H,3H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyKCCBNRNQRPVKOW-UHFFFAOYSA-N
XLogP3.85
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
ethyl 4-[[4-[ethyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315907
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315906
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109313399
N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902066
2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109301765
N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313994
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112899132

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide (CID 109315894) is 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(Nc2ccc(NC(C)=O)cc2)n1)c1ccccc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is KCCBNRNQRPVKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-26(18-7-5-4-6-8-18)20(28)19-13-14-22-21(25-19)24-17-11-9-16(10-12-17)23-15(2)27/h4-14H,3H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109315894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).