2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine

C7H11N3S2 — CID 10726765

IUPAC2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C)nc(SC)c1N
InChIInChI=1S/C7H11N3S2/c1-4-9-6(11-2)5(8)7(10-4)12-3/h8H2,1-3H3
InChIKeyPRBXAQFYMVLYFE-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine

2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine (PubChem CID 10726765) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
PubChem CID10726765
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Name2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C)nc(SC)c1N
InChIInChI=1S/C7H11N3S2/c1-4-9-6(11-2)5(8)7(10-4)12-3/h8H2,1-3H3
InChIKeyPRBXAQFYMVLYFE-UHFFFAOYSA-N
XLogP1.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
Pyrimidine, 5-formamido-2-methyl-4-methylamino-6-methylthio-
CID 171384369
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
4-Methyl-2,6-bis(methylsulfanyl)pyrimidin-5-amine
CID 46708175
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
2,6-Bis(isobutylthio)pyrimidine-4,5-diamine
CID 135397808
6-(Methylsulfanyl)pyrimidine-4,5-diamine
CID 248028
4,6-Bis(methylthio)-5-aminopyrimidine
CID 238733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The IUPAC name of 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine (CID 10726765) is 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine.
What is the SMILES notation for 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The canonical SMILES for 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine is CSc1nc(C)nc(SC)c1N.
What is the InChIKey of 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The InChIKey is PRBXAQFYMVLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-4-9-6(11-2)5(8)7(10-4)12-3/h8H2,1-3H3.
What are the key properties of 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine has a molecular weight of 201.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine is sourced from PubChem (CID 10726765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).