1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine

C13H16N4S — CID 126848865

IUPAC1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2cc(-c3cccs3)ncn2)CC1
InChIInChI=1S/C13H16N4S/c14-10-3-5-17(6-4-10)13-8-11(15-9-16-13)12-2-1-7-18-12/h1-2,7-10H,3-6,14H2
InChIKeyYPGWMNVNKVPZBD-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.13
Rot. Bonds2

About 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine

1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 126848865) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine
PubChem CID126848865
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2cc(-c3cccs3)ncn2)CC1
InChIInChI=1S/C13H16N4S/c14-10-3-5-17(6-4-10)13-8-11(15-9-16-13)12-2-1-7-18-12/h1-2,7-10H,3-6,14H2
InChIKeyYPGWMNVNKVPZBD-UHFFFAOYSA-N
XLogP2.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine (CID 126848865) is 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine is NC1CCN(c2cc(-c3cccs3)ncn2)CC1.
What is the InChIKey of 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is YPGWMNVNKVPZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c14-10-3-5-17(6-4-10)13-8-11(15-9-16-13)12-2-1-7-18-12/h1-2,7-10H,3-6,14H2.
What are the key properties of 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine?
1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 260.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 126848865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).