6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide

C19H20N4O2 — CID 109368142

IUPAC6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCc3ccco3)nc(C)n2)c1
InChIInChI=1S/C19H20N4O2/c1-12-7-13(2)9-15(8-12)23-18-10-17(21-14(3)22-18)19(24)20-11-16-5-4-6-25-16/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyAUUOZAHEQLJVEW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.67
Rot. Bonds5

About 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide

6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368142) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368142
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCc3ccco3)nc(C)n2)c1
InChIInChI=1S/C19H20N4O2/c1-12-7-13(2)9-15(8-12)23-18-10-17(21-14(3)22-18)19(24)20-11-16-5-4-6-25-16/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyAUUOZAHEQLJVEW-UHFFFAOYSA-N
XLogP3.67
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109368150
6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368191
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368165
6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368156
6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370881
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109117580
4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085201

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide (CID 109368142) is 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)NCc3ccco3)nc(C)n2)c1.
What is the InChIKey of 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is AUUOZAHEQLJVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-7-13(2)9-15(8-12)23-18-10-17(21-14(3)22-18)19(24)20-11-16-5-4-6-25-16/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).