6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C16H12Cl2N4O2 — CID 109346451

IUPAC6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C16H12Cl2N4O2/c17-11-4-1-5-12(15(11)18)22-14-7-13(20-9-21-14)16(23)19-8-10-3-2-6-24-10/h1-7,9H,8H2,(H,19,23)(H,20,21,22)
InChIKeyJHYDATGOUHRELE-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.05
Rot. Bonds5

About 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109346451) has the molecular formula C16H12Cl2N4O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109346451
Molecular FormulaC16H12Cl2N4O2
Molecular Weight363.20 g/mol
Exact Mass362.03
IUPAC Name6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C16H12Cl2N4O2/c17-11-4-1-5-12(15(11)18)22-14-7-13(20-9-21-14)16(23)19-8-10-3-2-6-24-10/h1-7,9H,8H2,(H,19,23)(H,20,21,22)
InChIKeyJHYDATGOUHRELE-UHFFFAOYSA-N
XLogP4.05
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346387
6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346452
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187637
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348243
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
6-(2,3-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344397
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231446
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109346451) is 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccco1)c1cc(Nc2cccc(Cl)c2Cl)ncn1.
What is the InChIKey of 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is JHYDATGOUHRELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2/c17-11-4-1-5-12(15(11)18)22-14-7-13(20-9-21-14)16(23)19-8-10-3-2-6-24-10/h1-7,9H,8H2,(H,19,23)(H,20,21,22).
What are the key properties of 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).