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

C7H11ClN4S — CID 89094226

IUPAC6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
SMILESCCCSc1nc(N)c(N)c(Cl)n1
InChIInChI=1S/C7H11ClN4S/c1-2-3-13-7-11-5(8)4(9)6(10)12-7/h2-3,9H2,1H3,(H2,10,11,12)
InChIKeyBDIYHZSJWKHHAE-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.80
Rot. Bonds3

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

6-chloro-2-propylsulfanylpyrimidine-4,5-diamine (PubChem CID 89094226) has the molecular formula C7H11ClN4S and a molecular weight of 218.71 g/mol. Its IUPAC name is 6-chloro-2-propylsulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
PubChem CID89094226
Molecular FormulaC7H11ClN4S
Molecular Weight218.71 g/mol
Exact Mass218.04
IUPAC Name6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
SMILESCCCSc1nc(N)c(N)c(Cl)n1
InChIInChI=1S/C7H11ClN4S/c1-2-3-13-7-11-5(8)4(9)6(10)12-7/h2-3,9H2,1H3,(H2,10,11,12)
InChIKeyBDIYHZSJWKHHAE-UHFFFAOYSA-N
XLogP1.80
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
CID 11436336
4,5,6-Triamino-2-(methylsulfanyl)pyrimidine
CID 229266
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
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
6-Chloro-5-nitro-2-(propylsulfanyl)pyrimidin-4-amine
CID 71463940
6-chloro-2-propylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 139410886
6-Chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine
CID 141433924
2-(3,3,3-Trifluoropropylsulfanyl)pyrimidine-4,5,6-triamine
CID 141513058
2-Ethylthio-4,6-diamino-5-nitrosopyrimidine
CID 12209953
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propylsulfanylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-propylsulfanylpyrimidine-4,5-diamine (CID 89094226) is 6-chloro-2-propylsulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-propylsulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-propylsulfanylpyrimidine-4,5-diamine is CCCSc1nc(N)c(N)c(Cl)n1.
What is the InChIKey of 6-chloro-2-propylsulfanylpyrimidine-4,5-diamine?
The InChIKey is BDIYHZSJWKHHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4S/c1-2-3-13-7-11-5(8)4(9)6(10)12-7/h2-3,9H2,1H3,(H2,10,11,12).
What are the key properties of 6-chloro-2-propylsulfanylpyrimidine-4,5-diamine?
6-chloro-2-propylsulfanylpyrimidine-4,5-diamine has a molecular weight of 218.71 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propylsulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 89094226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).