5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine

C11H12ClN3OS — CID 80893486

IUPAC5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(SCc2ccco2)n1
InChIInChI=1S/C11H12ClN3OS/c1-2-13-11-14-6-9(12)10(15-11)17-7-8-4-3-5-16-8/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyPGRVYNVZZZVMSF-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.45
Rot. Bonds5

About 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine

5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine (PubChem CID 80893486) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
PubChem CID80893486
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(SCc2ccco2)n1
InChIInChI=1S/C11H12ClN3OS/c1-2-13-11-14-6-9(12)10(15-11)17-7-8-4-3-5-16-8/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyPGRVYNVZZZVMSF-UHFFFAOYSA-N
XLogP3.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(4-chlorophenyl)methylsulfanyl]-N-ethylpyrimidin-2-amine
CID 114793007
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine
CID 102761283
2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
CID 102752209
3-[5-chloro-2-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894566
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80766356
4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80893880
4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334041
5-chloro-N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 107765527
5-chloro-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890456

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine (CID 80893486) is 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine is CCNc1ncc(Cl)c(SCc2ccco2)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The InChIKey is PGRVYNVZZZVMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-2-13-11-14-6-9(12)10(15-11)17-7-8-4-3-5-16-8/h3-6H,2,7H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine has a molecular weight of 269.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80893486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).