N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide

C18H18N4O3 — CID 109327013

IUPACN-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nc(C)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H18N4O3/c1-12-10-15(17(23)19-11-13-6-5-9-25-13)22-18(20-12)21-14-7-3-4-8-16(14)24-2/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyFJSJULRKLSJJPH-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.06
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109327013) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109327013
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nc(C)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H18N4O3/c1-12-10-15(17(23)19-11-13-6-5-9-25-13)22-18(20-12)21-14-7-3-4-8-16(14)24-2/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyFJSJULRKLSJJPH-UHFFFAOYSA-N
XLogP3.06
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326984
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327005
2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320348
N-(furan-2-ylmethyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319274
N-(furan-2-ylmethyl)-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279400
2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326998
2-(4-ethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326989
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327009
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326799
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109327013) is N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1ccccc1Nc1nc(C)cc(C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is FJSJULRKLSJJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-10-15(17(23)19-11-13-6-5-9-25-13)22-18(20-12)21-14-7-3-4-8-16(14)24-2/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109327013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).