2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide

C18H17ClN4O2 — CID 109327005

IUPAC2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C18H17ClN4O2/c1-11-5-6-13(19)9-15(11)22-18-21-12(2)8-16(23-18)17(24)20-10-14-4-3-7-25-14/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyBDIXQRRUTBWUTI-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.01
Rot. Bonds5

About 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide

2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109327005) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109327005
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C18H17ClN4O2/c1-11-5-6-13(19)9-15(11)22-18-21-12(2)8-16(23-18)17(24)20-10-14-4-3-7-25-14/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyBDIXQRRUTBWUTI-UHFFFAOYSA-N
XLogP4.01
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326984
2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327009
N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327013
N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326904
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329355
N-(furan-2-ylmethyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319274
2-(4-ethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326989
2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326998
4-N-(5-chloro-2-methylphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915381
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
6-N-(2,5-dichlorophenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097197
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide (CID 109327005) is 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccco2)nc(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is BDIXQRRUTBWUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-5-6-13(19)9-15(11)22-18-21-12(2)8-16(23-18)17(24)20-10-14-4-3-7-25-14/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109327005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).