N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine

C14H17N3S — CID 112559939

IUPACN-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1cc(SC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-10(2)18-13-9-12(15-3)16-14(17-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,17)
InChIKeyPHTRDOSJTFCGNL-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.69
Rot. Bonds4

About N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine

N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine (PubChem CID 112559939) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine
PubChem CID112559939
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1cc(SC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-10(2)18-13-9-12(15-3)16-14(17-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,17)
InChIKeyPHTRDOSJTFCGNL-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine (CID 112559939) is N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine is CNc1cc(SC(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is PHTRDOSJTFCGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10(2)18-13-9-12(15-3)16-14(17-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,17).
What are the key properties of N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 112559939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).