N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109352394

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C21H21ClN4O2/c1-2-28-19-6-4-3-5-17(19)26-20-13-18(24-14-25-20)21(27)23-12-11-15-7-9-16(22)10-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyVLUKFRSSODKTOP-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.24
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109352394) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109352394
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C21H21ClN4O2/c1-2-28-19-6-4-3-5-17(19)26-20-13-18(24-14-25-20)21(27)23-12-11-15-7-9-16(22)10-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyVLUKFRSSODKTOP-UHFFFAOYSA-N
XLogP4.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109350972
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109352406
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350591
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626
6-(3-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109352397
N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109218485
N-(3-phenylpropyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353608

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide (CID 109352394) is N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is VLUKFRSSODKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-2-28-19-6-4-3-5-17(19)26-20-13-18(24-14-25-20)21(27)23-12-11-15-7-9-16(22)10-8-15/h3-10,13-14H,2,11-12H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109352394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).