4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine

C12H13N3S — CID 1475322

IUPAC4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine
SMILESCc1ccc(Sc2cnc(N)nc2C)cc1
InChIInChI=1S/C12H13N3S/c1-8-3-5-10(6-4-8)16-11-7-14-12(13)15-9(11)2/h3-7H,1-2H3,(H2,13,14,15)
InChIKeySBRIMEKGYPIRFX-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.83
Rot. Bonds2

About 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine

4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine (PubChem CID 1475322) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine
PubChem CID1475322
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine
SMILESCc1ccc(Sc2cnc(N)nc2C)cc1
InChIInChI=1S/C12H13N3S/c1-8-3-5-10(6-4-8)16-11-7-14-12(13)15-9(11)2/h3-7H,1-2H3,(H2,13,14,15)
InChIKeySBRIMEKGYPIRFX-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2745352
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CID 9641063
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CID 135545034
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CID 14347006
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CID 180586
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CID 4141645
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CID 1483267
CID 1483267

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine (CID 1475322) is 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine is Cc1ccc(Sc2cnc(N)nc2C)cc1.
What is the InChIKey of 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine?
The InChIKey is SBRIMEKGYPIRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-8-3-5-10(6-4-8)16-11-7-14-12(13)15-9(11)2/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine?
4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine has a molecular weight of 231.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 1475322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).