4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine

C6H9ClN4S — CID 88769181

IUPAC4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine
SMILESCCSc1nc(N)nc(Cl)c1N
InChIInChI=1S/C6H9ClN4S/c1-2-12-5-3(8)4(7)10-6(9)11-5/h2,8H2,1H3,(H2,9,10,11)
InChIKeyXGZAOKGETHIOIK-UHFFFAOYSA-N
MW204.69 g/mol
LogP1.41
Rot. Bonds2

About 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine

4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine (PubChem CID 88769181) has the molecular formula C6H9ClN4S and a molecular weight of 204.69 g/mol. Its IUPAC name is 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine
PubChem CID88769181
Molecular FormulaC6H9ClN4S
Molecular Weight204.69 g/mol
Exact Mass204.02
IUPAC Name4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine
SMILESCCSc1nc(N)nc(Cl)c1N
InChIInChI=1S/C6H9ClN4S/c1-2-12-5-3(8)4(7)10-6(9)11-5/h2,8H2,1H3,(H2,9,10,11)
InChIKeyXGZAOKGETHIOIK-UHFFFAOYSA-N
XLogP1.41
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.69
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
CID 11436336
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-amine
CID 57742486
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
4-Methylthio-5-amino-6-chloropyrimidine
CID 12350057
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
6-Chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89094226
6-Chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine
CID 141433924
[(5-Amino-6-chloropyrimidin-4-yl)sulfanyl]acetonitrile
CID 12379031
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
2,6-Bis(isobutylthio)pyrimidine-4,5-diamine
CID 135397808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine?
The IUPAC name of 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine (CID 88769181) is 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine.
What is the SMILES notation for 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine?
The canonical SMILES for 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine is CCSc1nc(N)nc(Cl)c1N.
What is the InChIKey of 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine?
The InChIKey is XGZAOKGETHIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4S/c1-2-12-5-3(8)4(7)10-6(9)11-5/h2,8H2,1H3,(H2,9,10,11).
What are the key properties of 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine?
4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine has a molecular weight of 204.69 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethylsulfanylpyrimidine-2,5-diamine is sourced from PubChem (CID 88769181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).