N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine

C15H13N3OS — CID 4146707

IUPACN-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3cccs3)cn2)cc1
InChIInChI=1S/C15H13N3OS/c1-19-13-6-4-12(5-7-13)18-15-16-9-11(10-17-15)14-3-2-8-20-14/h2-10H,1H3,(H,16,17,18)
InChIKeyJYZPRFUWUOHENS-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds4

About N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine

N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine (PubChem CID 4146707) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine
PubChem CID4146707
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3cccs3)cn2)cc1
InChIInChI=1S/C15H13N3OS/c1-19-13-6-4-12(5-7-13)18-15-16-9-11(10-17-15)14-3-2-8-20-14/h2-10H,1H3,(H,16,17,18)
InChIKeyJYZPRFUWUOHENS-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine (CID 4146707) is N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine is COc1ccc(Nc2ncc(-c3cccs3)cn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is JYZPRFUWUOHENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-19-13-6-4-12(5-7-13)18-15-16-9-11(10-17-15)14-3-2-8-20-14/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine?
N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 4146707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).