6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine

C13H23N3S2 — CID 107765595

IUPAC6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SC(C)C(C)C)nc(SC)n1
InChIInChI=1S/C13H23N3S2/c1-6-7-14-11-8-12(16-13(15-11)17-5)18-10(4)9(2)3/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyIZMXKPMNRZYENN-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.16
Rot. Bonds7

About 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine

6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 107765595) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID107765595
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC Name6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SC(C)C(C)C)nc(SC)n1
InChIInChI=1S/C13H23N3S2/c1-6-7-14-11-8-12(16-13(15-11)17-5)18-10(4)9(2)3/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyIZMXKPMNRZYENN-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765811
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80815078
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772749
2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882787
2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80893301
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80894797
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 106928397

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 107765595) is 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(SC(C)C(C)C)nc(SC)n1.
What is the InChIKey of 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is IZMXKPMNRZYENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-6-7-14-11-8-12(16-13(15-11)17-5)18-10(4)9(2)3/h8-10H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 285.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107765595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).