6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C17H15ClN4O2 — CID 109346387

IUPAC6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1Nc1cc(C(=O)NCc2ccco2)ncn1
InChIInChI=1S/C17H15ClN4O2/c1-11-13(18)5-2-6-14(11)22-16-8-15(20-10-21-16)17(23)19-9-12-4-3-7-24-12/h2-8,10H,9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyLJHMBKAMGZGUDW-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.71
Rot. Bonds5

About 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109346387) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109346387
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1Nc1cc(C(=O)NCc2ccco2)ncn1
InChIInChI=1S/C17H15ClN4O2/c1-11-13(18)5-2-6-14(11)22-16-8-15(20-10-21-16)17(23)19-9-12-4-3-7-24-12/h2-8,10H,9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyLJHMBKAMGZGUDW-UHFFFAOYSA-N
XLogP3.71
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346452
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
N-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340116
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109348624
6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350591
N-tert-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109353885
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109346387) is 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is Cc1c(Cl)cccc1Nc1cc(C(=O)NCc2ccco2)ncn1.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is LJHMBKAMGZGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-11-13(18)5-2-6-14(11)22-16-8-15(20-10-21-16)17(23)19-9-12-4-3-7-24-12/h2-8,10H,9H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).