5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide

C11H10ClN3O2S — CID 6463310

IUPAC5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-18-11-14-6-8(12)9(15-11)10(16)13-5-7-3-2-4-17-7/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyZXKWPUNYQXBDTC-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.37
Rot. Bonds4

About 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 6463310) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID6463310
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-18-11-14-6-8(12)9(15-11)10(16)13-5-7-3-2-4-17-7/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyZXKWPUNYQXBDTC-UHFFFAOYSA-N
XLogP2.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 36703097
N-(furan-2-ylmethyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 20913721
5-chloro-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46586010
5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 35576839
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
CID 2980599
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 43418256
5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459040
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 42961619

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide (CID 6463310) is 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is ZXKWPUNYQXBDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-18-11-14-6-8(12)9(15-11)10(16)13-5-7-3-2-4-17-7/h2-4,6H,5H2,1H3,(H,13,16).
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 283.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 6463310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).