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

C19H19ClN4O2 — CID 109327009

IUPAC2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nc(C)cc(C(=O)NCc3ccco3)n2)c(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-11-7-12(2)17(15(20)8-11)24-19-22-13(3)9-16(23-19)18(25)21-10-14-5-4-6-26-14/h4-9H,10H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyWQVVXSSHAHKYQC-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.32
Rot. Bonds5

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

2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109327009) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109327009
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nc(C)cc(C(=O)NCc3ccco3)n2)c(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-11-7-12(2)17(15(20)8-11)24-19-22-13(3)9-16(23-19)18(25)21-10-14-5-4-6-26-14/h4-9H,10H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyWQVVXSSHAHKYQC-UHFFFAOYSA-N
XLogP4.32
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327005
2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326984
N-(furan-2-ylmethyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319274
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
N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327013
2-(2-chloro-4,6-dimethylanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324782
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927
2-(2-chloro-4,6-dimethylanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337373
2-(2-chloro-4,6-dimethylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337375
N-(2-chloro-4,6-dimethylphenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961418
1-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 3857332

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide (CID 109327009) is 2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C)c(Nc2nc(C)cc(C(=O)NCc3ccco3)n2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is WQVVXSSHAHKYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-11-7-12(2)17(15(20)8-11)24-19-22-13(3)9-16(23-19)18(25)21-10-14-5-4-6-26-14/h4-9H,10H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide?
2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109327009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).