N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide

C17H14Cl2N4O2 — CID 109326904

IUPACN-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C17H14Cl2N4O2/c1-10-7-15(16(24)22-14-8-11(18)4-5-13(14)19)23-17(21-10)20-9-12-3-2-6-25-12/h2-8H,9H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyMLXXTESCQAGBFB-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.55
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide

N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109326904) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109326904
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC NameN-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C17H14Cl2N4O2/c1-10-7-15(16(24)22-14-8-11(18)4-5-13(14)19)23-17(21-10)20-9-12-3-2-6-25-12/h2-8H,9H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyMLXXTESCQAGBFB-UHFFFAOYSA-N
XLogP4.55
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326853
N-(2-ethylphenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326839
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327005
2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109326828
6-N-(2,5-dichlorophenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097197
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319469
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864118
4-N-(5-chloro-2-methylphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915381
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634
5-N-(2,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104953
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide (CID 109326904) is N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)nc(NCc2ccco2)n1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is MLXXTESCQAGBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-10-7-15(16(24)22-14-8-11(18)4-5-13(14)19)23-17(21-10)20-9-12-3-2-6-25-12/h2-8H,9H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide?
N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109326904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).