2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C18H16Cl2N4O2 — CID 109303478

IUPAC2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H16Cl2N4O2/c19-13-4-3-12(15(20)10-13)5-7-21-18-22-8-6-16(24-18)17(25)23-11-14-2-1-9-26-14/h1-4,6,8-10H,5,7,11H2,(H,23,25)(H,21,22,24)
InChIKeyPYAZMRYTSULBRN-UHFFFAOYSA-N
MW391.26 g/mol
LogP3.96
Rot. Bonds7

About 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109303478) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109303478
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H16Cl2N4O2/c19-13-4-3-12(15(20)10-13)5-7-21-18-22-8-6-16(24-18)17(25)23-11-14-2-1-9-26-14/h1-4,6,8-10H,5,7,11H2,(H,23,25)(H,21,22,24)
InChIKeyPYAZMRYTSULBRN-UHFFFAOYSA-N
XLogP3.96
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)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

2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303449
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-[2-(2,4-dichlorophenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295997
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
6-N-(2,5-dichlorophenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097197
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
2-[(3,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303450
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109303478) is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccco1)c1ccnc(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is PYAZMRYTSULBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c19-13-4-3-12(15(20)10-13)5-7-21-18-22-8-6-16(24-18)17(25)23-11-14-2-1-9-26-14/h1-4,6,8-10H,5,7,11H2,(H,23,25)(H,21,22,24).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 391.26 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).