4-chloro-2-propylsulfanylpyrimidin-5-amine

C7H10ClN3S — CID 24865889

IUPAC4-chloro-2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1ncc(N)c(Cl)n1
InChIInChI=1S/C7H10ClN3S/c1-2-3-12-7-10-4-5(9)6(8)11-7/h4H,2-3,9H2,1H3
InChIKeyZKDROFRLEWEOSS-UHFFFAOYSA-N
MW203.70 g/mol
LogP2.21
Rot. Bonds3

About 4-chloro-2-propylsulfanylpyrimidin-5-amine

4-chloro-2-propylsulfanylpyrimidin-5-amine (PubChem CID 24865889) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 4-chloro-2-propylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-2-propylsulfanylpyrimidin-5-amine
PubChem CID24865889
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name4-chloro-2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1ncc(N)c(Cl)n1
InChIInChI=1S/C7H10ClN3S/c1-2-3-12-7-10-4-5(9)6(8)11-7/h4H,2-3,9H2,1H3
InChIKeyZKDROFRLEWEOSS-UHFFFAOYSA-N
XLogP2.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-chloro-2-propylsulfanylpyrimidin-5-amine (CID 24865889) is 4-chloro-2-propylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-2-propylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-2-propylsulfanylpyrimidin-5-amine is CCCSc1ncc(N)c(Cl)n1.
What is the InChIKey of 4-chloro-2-propylsulfanylpyrimidin-5-amine?
The InChIKey is ZKDROFRLEWEOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c1-2-3-12-7-10-4-5(9)6(8)11-7/h4H,2-3,9H2,1H3.
What are the key properties of 4-chloro-2-propylsulfanylpyrimidin-5-amine?
4-chloro-2-propylsulfanylpyrimidin-5-amine has a molecular weight of 203.70 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 24865889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).