6-methylsulfanyl-N-propylpyrimidin-4-amine

C8H13N3S — CID 80885847

IUPAC6-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SC)ncn1
InChIInChI=1S/C8H13N3S/c1-3-4-9-7-5-8(12-2)11-6-10-7/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyJJUXTOUUESRZPG-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.02
Rot. Bonds4

About 6-methylsulfanyl-N-propylpyrimidin-4-amine

6-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80885847) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID80885847
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SC)ncn1
InChIInChI=1S/C8H13N3S/c1-3-4-9-7-5-8(12-2)11-6-10-7/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyJJUXTOUUESRZPG-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-propylpyrimidin-4-amine (CID 80885847) is 6-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(SC)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is JJUXTOUUESRZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-4-9-7-5-8(12-2)11-6-10-7/h5-6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 6-methylsulfanyl-N-propylpyrimidin-4-amine?
6-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 183.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80885847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).