6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine

C10H17N3S — CID 80887936

IUPAC6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(SCC)c1C
InChIInChI=1S/C10H17N3S/c1-4-6-11-9-8(3)10(14-5-2)13-7-12-9/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyLWUYCUMTGPXSAC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.72
Rot. Bonds5

About 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine

6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80887936) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80887936
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(SCC)c1C
InChIInChI=1S/C10H17N3S/c1-4-6-11-9-8(3)10(14-5-2)13-7-12-9/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyLWUYCUMTGPXSAC-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890569
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80887595
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine
CID 80891443
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine (CID 80887936) is 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(SCC)c1C.
What is the InChIKey of 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is LWUYCUMTGPXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-6-11-9-8(3)10(14-5-2)13-7-12-9/h7H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine?
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80887936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).