6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine

C13H23N3S2 — CID 107765811

IUPAC6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCC(C)CC)nc(SC)n1
InChIInChI=1S/C13H23N3S2/c1-5-7-14-11-8-12(16-13(15-11)17-4)18-9-10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyXUGNYONLZPXYSA-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.16
Rot. Bonds8

About 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine

6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 107765811) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID107765811
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC Name6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCC(C)CC)nc(SC)n1
InChIInChI=1S/C13H23N3S2/c1-5-7-14-11-8-12(16-13(15-11)17-4)18-9-10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyXUGNYONLZPXYSA-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765595
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882787
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
3-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80895045
[6-(2-methylpropylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80925282
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80780195
2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877951
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
N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107765749

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 107765811) is 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(SCC(C)CC)nc(SC)n1.
What is the InChIKey of 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is XUGNYONLZPXYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-5-7-14-11-8-12(16-13(15-11)17-4)18-9-10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,14,15,16).
What are the key properties of 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 285.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107765811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).