6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine

C9H15N3S — CID 78911841

IUPAC6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(SCC(C)C)n1
InChIInChI=1S/C9H15N3S/c1-6(2)5-13-9-11-7(3)4-8(10)12-9/h4,6H,5H2,1-3H3,(H2,10,11,12)
InChIKeyBTUPKNKLMSQTQS-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.12
Rot. Bonds3

About 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine

6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine (PubChem CID 78911841) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine
PubChem CID78911841
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(SCC(C)C)n1
InChIInChI=1S/C9H15N3S/c1-6(2)5-13-9-11-7(3)4-8(10)12-9/h4,6H,5H2,1-3H3,(H2,10,11,12)
InChIKeyBTUPKNKLMSQTQS-UHFFFAOYSA-N
XLogP2.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol
CID 115279576
2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
CID 79026200
2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine
CID 115331085
2-[(E)-but-2-enyl]sulfanyl-6-methylpyrimidin-4-amine
CID 115279575
2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine
CID 81434419
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 80654802
(2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 96570656
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 66105522
6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
CID 80893169
6-methyl-2-(nitromethylsulfanyl)pyrimidin-4-amine
CID 130727688
6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 47424857
6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine
CID 78911837

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine (CID 78911841) is 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine is Cc1cc(N)nc(SCC(C)C)n1.
What is the InChIKey of 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine?
The InChIKey is BTUPKNKLMSQTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)5-13-9-11-7(3)4-8(10)12-9/h4,6H,5H2,1-3H3,(H2,10,11,12).
What are the key properties of 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine?
6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine has a molecular weight of 197.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 78911841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).