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

C18H17ClN4O2 — CID 109303449

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN4O2/c19-14-5-3-13(4-6-14)7-9-20-18-21-10-8-16(23-18)17(24)22-12-15-2-1-11-25-15/h1-6,8,10-11H,7,9,12H2,(H,22,24)(H,20,21,23)
InChIKeyDAUOVZSJXQUSMC-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.31
Rot. Bonds7

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

2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109303449) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109303449
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN4O2/c19-14-5-3-13(4-6-14)7-9-20-18-21-10-8-16(23-18)17(24)22-12-15-2-1-11-25-15/h1-6,8,10-11H,7,9,12H2,(H,22,24)(H,20,21,23)
InChIKeyDAUOVZSJXQUSMC-UHFFFAOYSA-N
XLogP3.31
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303478
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305390
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304065
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
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
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109303449) is 2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccco1)c1ccnc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is DAUOVZSJXQUSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-5-3-13(4-6-14)7-9-20-18-21-10-8-16(23-18)17(24)22-12-15-2-1-11-25-15/h1-6,8,10-11H,7,9,12H2,(H,22,24)(H,20,21,23).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).