4-(Butylsulfanyl)-6-methylpyrimidin-2-amine

C9H15N3S — CID 237930

IUPAC4-butylsulfanyl-6-methylpyrimidin-2-amine
SMILESCCCCSC1=NC(=NC(=C1)C)N
InChIInChI=1S/C9H15N3S/c1-3-4-5-13-8-6-7(2)11-9(10)12-8/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyJUUPMMRKSVNKCU-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.40
Rot. Bonds4

About 4-(Butylsulfanyl)-6-methylpyrimidin-2-amine

4-(Butylsulfanyl)-6-methylpyrimidin-2-amine (PubChem CID 237930) has the molecular formula C9H15N3S and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-butylsulfanyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(Butylsulfanyl)-6-methylpyrimidin-2-amine
PubChem CID237930
Molecular FormulaC9H15N3S
Molecular Weight197.30 g/mol
Exact Mass197.10
IUPAC Name4-butylsulfanyl-6-methylpyrimidin-2-amine
SMILESCCCCSC1=NC(=NC(=C1)C)N
InChIInChI=1S/C9H15N3S/c1-3-4-5-13-8-6-7(2)11-9(10)12-8/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyJUUPMMRKSVNKCU-UHFFFAOYSA-N
XLogP2.40
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity143

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-6-(methylthio)pyrimidin-2-yl]acetamide
CID 742810
Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate
CID 723916
6-[(2-Chloro-6-methylpyrimidin-4-YL)sulfanyl]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine
CID 3157003
N-methyl-N-(6-methyl-4-methylthiopyrimidin-2-yl)acetamide
CID 658170
Pyrimidin-2-amine, 15
CID 44220304
(2-Acetylamino-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid ethyl ester
CID 655986
Methyl {[6-methyl-2-(methylthio)-4-pyrimidinyl]thio}acetate
CID 976346
(2-Acetylamino-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid methyl ester
CID 652992
(6-Methyl-2-propionylamino-pyrimidin-4-ylsulfanyl)-acetic acid methyl ester
CID 652134
2-(6-Methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol
CID 1575439
4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl-
CID 660772
4,4'-Bis(2-amino-6-methylpyrimidyl) Disulfide
CID 330486

Frequently Asked Questions

What is the IUPAC name of 4-(Butylsulfanyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(Butylsulfanyl)-6-methylpyrimidin-2-amine (CID 237930) is 4-butylsulfanyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(Butylsulfanyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(Butylsulfanyl)-6-methylpyrimidin-2-amine is CCCCSC1=NC(=NC(=C1)C)N.
What is the InChIKey of 4-(Butylsulfanyl)-6-methylpyrimidin-2-amine?
The InChIKey is JUUPMMRKSVNKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-4-5-13-8-6-7(2)11-9(10)12-8/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-(Butylsulfanyl)-6-methylpyrimidin-2-amine?
4-(Butylsulfanyl)-6-methylpyrimidin-2-amine has a molecular weight of 197.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Butylsulfanyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 237930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).