6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine

C15H19N3S2 — CID 80885590

IUPAC6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2cccc(C)c2)nc(SC)n1
InChIInChI=1S/C15H19N3S2/c1-4-8-16-13-10-14(18-15(17-13)19-3)20-12-7-5-6-11(2)9-12/h5-7,9-10H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyNKDLZMNQWCIINV-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.48
Rot. Bonds6

About 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine

6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80885590) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID80885590
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2cccc(C)c2)nc(SC)n1
InChIInChI=1S/C15H19N3S2/c1-4-8-16-13-10-14(18-15(17-13)19-3)20-12-7-5-6-11(2)9-12/h5-7,9-10H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyNKDLZMNQWCIINV-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80755461
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80892361
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-(2-chloro-5-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 107638862
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 106928397
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
2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80894797
6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765595
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308
6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765811

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 80885590) is 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2cccc(C)c2)nc(SC)n1.
What is the InChIKey of 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is NKDLZMNQWCIINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-4-8-16-13-10-14(18-15(17-13)19-3)20-12-7-5-6-11(2)9-12/h5-7,9-10H,4,8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 305.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80885590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).