5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine

C11H13N3OS — CID 18507240

IUPAC5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
SMILESCCc1c(SC)nc(N)nc1-c1ccco1
InChIInChI=1S/C11H13N3OS/c1-3-7-9(8-5-4-6-15-8)13-11(12)14-10(7)16-2/h4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyCQPYZTSFWSLHBS-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.60
Rot. Bonds3

About 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine

5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine (PubChem CID 18507240) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
PubChem CID18507240
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
SMILESCCc1c(SC)nc(N)nc1-c1ccco1
InChIInChI=1S/C11H13N3OS/c1-3-7-9(8-5-4-6-15-8)13-11(12)14-10(7)16-2/h4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyCQPYZTSFWSLHBS-UHFFFAOYSA-N
XLogP2.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-furan-2-yl-6-phenyl-pyrimidine-5-carbonitrile
CID 9813876
5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
3-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-phenethyl-propionamide
CID 649170
3-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-[2-(4-methoxy-phenyl)-ethyl]-propionamide
CID 653761
N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 993254
2-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-p-tolyl-acetamide
CID 993260
2-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-phenethyl-acetamide
CID 1152569
N-(5-fluoro-2-methylphenyl)-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
CID 1164822
N-(3-fluoro-4-methylphenyl)-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
CID 1164834
3-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-(1-phenyl-ethyl)-propionamide
CID 3148114
N-(3-acetylphenyl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide
CID 3148149
N-(4-acetylphenyl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide
CID 3148151

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine (CID 18507240) is 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine is CCc1c(SC)nc(N)nc1-c1ccco1.
What is the InChIKey of 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine?
The InChIKey is CQPYZTSFWSLHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-7-9(8-5-4-6-15-8)13-11(12)14-10(7)16-2/h4-6H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine?
5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 18507240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).