6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C18H17ClN4O4 — CID 109346452

IUPAC6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)NCc3ccco3)ncn2)c(OC)cc1Cl
InChIInChI=1S/C18H17ClN4O4/c1-25-15-7-13(16(26-2)6-12(15)19)23-17-8-14(21-10-22-17)18(24)20-9-11-4-3-5-27-11/h3-8,10H,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyUFMKAHZJRLOFFU-UHFFFAOYSA-N
MW388.81 g/mol
LogP3.41
Rot. Bonds7

About 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109346452) has the molecular formula C18H17ClN4O4 and a molecular weight of 388.81 g/mol. Its IUPAC name is 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109346452
Molecular FormulaC18H17ClN4O4
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC Name6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)NCc3ccco3)ncn2)c(OC)cc1Cl
InChIInChI=1S/C18H17ClN4O4/c1-25-15-7-13(16(26-2)6-12(15)19)23-17-8-14(21-10-22-17)18(24)20-9-11-4-3-5-27-11/h3-8,10H,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyUFMKAHZJRLOFFU-UHFFFAOYSA-N
XLogP3.41
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187638
6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346387
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889388
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
N-(furan-2-ylmethyl)-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279400
6-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117625

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109346452) is 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is COc1cc(Nc2cc(C(=O)NCc3ccco3)ncn2)c(OC)cc1Cl.
What is the InChIKey of 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is UFMKAHZJRLOFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4/c1-25-15-7-13(16(26-2)6-12(15)19)23-17-8-14(21-10-22-17)18(24)20-9-11-4-3-5-27-11/h3-8,10H,9H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).