4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine

C8H11N3S — CID 130157001

IUPAC4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine
SMILESC=CCSc1cc(C)nc(N)n1
InChIInChI=1S/C8H11N3S/c1-3-4-12-7-5-6(2)10-8(9)11-7/h3,5H,1,4H2,2H3,(H2,9,10,11)
InChIKeyNJGUIODVGIGMGP-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.65
Rot. Bonds3

About 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine

4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine (PubChem CID 130157001) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine
PubChem CID130157001
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine
SMILESC=CCSc1cc(C)nc(N)n1
InChIInChI=1S/C8H11N3S/c1-3-4-12-7-5-6(2)10-8(9)11-7/h3,5H,1,4H2,2H3,(H2,9,10,11)
InChIKeyNJGUIODVGIGMGP-UHFFFAOYSA-N
XLogP1.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
4-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
CID 113221003
methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 117068723
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
CID 114235096
methyl 3-(2-amino-6-methylpyrimidin-4-yl)sulfanylpropanoate
CID 112724335
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
2-prop-2-enylsulfanylpyridin-4-amine
CID 130507796
4,6-dimethyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
CID 2794588
4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine
CID 112724397
methyl 2-[1-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
CID 114000538
4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine
CID 80894692

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine (CID 130157001) is 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine is C=CCSc1cc(C)nc(N)n1.
What is the InChIKey of 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine?
The InChIKey is NJGUIODVGIGMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-3-4-12-7-5-6(2)10-8(9)11-7/h3,5H,1,4H2,2H3,(H2,9,10,11).
What are the key properties of 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine?
4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine has a molecular weight of 181.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 130157001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).