5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine

C14H13N5O2S — CID 46954719

IUPAC5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1cc(-c2cnc(N)nc2-c2cccs2)nc(OC)n1
InChIInChI=1S/C14H13N5O2S/c1-20-11-6-9(17-14(18-11)21-2)8-7-16-13(15)19-12(8)10-4-3-5-22-10/h3-7H,1-2H3,(H2,15,16,19)
InChIKeyAWBPOZXTHYUKGZ-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.26
Rot. Bonds4

About 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine

5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 46954719) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine
PubChem CID46954719
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1cc(-c2cnc(N)nc2-c2cccs2)nc(OC)n1
InChIInChI=1S/C14H13N5O2S/c1-20-11-6-9(17-14(18-11)21-2)8-7-16-13(15)19-12(8)10-4-3-5-22-10/h3-7H,1-2H3,(H2,15,16,19)
InChIKeyAWBPOZXTHYUKGZ-UHFFFAOYSA-N
XLogP2.26
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine (CID 46954719) is 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine is COc1cc(-c2cnc(N)nc2-c2cccs2)nc(OC)n1.
What is the InChIKey of 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is AWBPOZXTHYUKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-20-11-6-9(17-14(18-11)21-2)8-7-16-13(15)19-12(8)10-4-3-5-22-10/h3-7H,1-2H3,(H2,15,16,19).
What are the key properties of 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine?
5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 315.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 46954719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).