2-(2-methylbutylsulfanyl)pyrimidin-4-amine

C9H15N3S — CID 107765019

IUPAC2-(2-methylbutylsulfanyl)pyrimidin-4-amine
SMILESCCC(C)CSc1nccc(N)n1
InChIInChI=1S/C9H15N3S/c1-3-7(2)6-13-9-11-5-4-8(10)12-9/h4-5,7H,3,6H2,1-2H3,(H2,10,11,12)
InChIKeyLBNJPYYPBUEYBS-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.20
Rot. Bonds4

About 2-(2-methylbutylsulfanyl)pyrimidin-4-amine

2-(2-methylbutylsulfanyl)pyrimidin-4-amine (PubChem CID 107765019) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(2-methylbutylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylbutylsulfanyl)pyrimidin-4-amine
PubChem CID107765019
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(2-methylbutylsulfanyl)pyrimidin-4-amine
SMILESCCC(C)CSc1nccc(N)n1
InChIInChI=1S/C9H15N3S/c1-3-7(2)6-13-9-11-5-4-8(10)12-9/h4-5,7H,3,6H2,1-2H3,(H2,10,11,12)
InChIKeyLBNJPYYPBUEYBS-UHFFFAOYSA-N
XLogP2.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propylsulfanylpyrimidin-4-amine
CID 565451
2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine
CID 116798299
2-butan-2-ylpyrimidin-4-amine
CID 62313263
(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 104889205
1-[2-(2-methylbutylsulfanyl)pyrimidin-5-yl]butan-2-amine
CID 107762445
2-(2-methylbutylsulfanyl)-7H-purin-6-amine
CID 68896355
2,4-dichloro-6-(2-methylbutylsulfanyl)-1,3,5-triazine
CID 107751258
6-methyl-2-(2-methylbutylsulfanyl)pyridin-3-amine
CID 107747976
2-methyl-6-(2-methylbutylsulfanyl)pyridin-3-amine
CID 107747992
(2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine
CID 97052582
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
(2S,3R)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine
CID 97052581

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-methylbutylsulfanyl)pyrimidin-4-amine (CID 107765019) is 2-(2-methylbutylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylbutylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-methylbutylsulfanyl)pyrimidin-4-amine is CCC(C)CSc1nccc(N)n1.
What is the InChIKey of 2-(2-methylbutylsulfanyl)pyrimidin-4-amine?
The InChIKey is LBNJPYYPBUEYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-7(2)6-13-9-11-5-4-8(10)12-9/h4-5,7H,3,6H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-(2-methylbutylsulfanyl)pyrimidin-4-amine?
2-(2-methylbutylsulfanyl)pyrimidin-4-amine has a molecular weight of 197.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 107765019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).