6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine

C15H13N3S — CID 112559736

IUPAC6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cc(N)nc(-c3ccccc3)n2)s1
InChIInChI=1S/C15H13N3S/c1-10-7-8-13(19-10)12-9-14(16)18-15(17-12)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyCRXNMLJYZKTFFF-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.76
Rot. Bonds2

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

6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine (PubChem CID 112559736) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine
PubChem CID112559736
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cc(N)nc(-c3ccccc3)n2)s1
InChIInChI=1S/C15H13N3S/c1-10-7-8-13(19-10)12-9-14(16)18-15(17-12)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyCRXNMLJYZKTFFF-UHFFFAOYSA-N
XLogP3.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylphenyl)-2-phenylpyrimidin-4-amine
CID 115915041
2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
CID 138714829
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
CID 59779487
2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine
CID 106818359
2-(3-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 62192602
6-ethoxy-2-phenylpyrimidin-4-amine
CID 14242675
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
6-butan-2-yloxy-2-phenylpyrimidin-4-amine
CID 112559900
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
6-phenoxy-2-phenylpyrimidin-4-amine
CID 115915894

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine (CID 112559736) is 6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine is Cc1ccc(-c2cc(N)nc(-c3ccccc3)n2)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is CRXNMLJYZKTFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-7-8-13(19-10)12-9-14(16)18-15(17-12)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine?
6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 267.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112559736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).