N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine

C16H15N3S — CID 115915115

IUPACN-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2csc(C)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H15N3S/c1-11-8-13(10-20-11)14-9-15(17-2)19-16(18-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeyKZYOXNWQGXIKHC-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.22
Rot. Bonds3

About N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine

N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine (PubChem CID 115915115) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine
PubChem CID115915115
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2csc(C)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H15N3S/c1-11-8-13(10-20-11)14-9-15(17-2)19-16(18-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeyKZYOXNWQGXIKHC-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine
CID 112559733
2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 63479339
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
N-methyl-6-phenyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 62192476
N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886
N-methyl-6-(3-methylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 115915799
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 107125310
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
CID 107361110
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 62192127
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine (CID 115915115) is N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine is CNc1cc(-c2csc(C)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is KZYOXNWQGXIKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-8-13(10-20-11)14-9-15(17-2)19-16(18-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine?
N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 281.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115915115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).