2-pyridin-4-yl-2-pyrimidin-2-ylethanamine

C11H12N4 — CID 116833880

IUPAC2-pyridin-4-yl-2-pyrimidin-2-ylethanamine
SMILESNCC(c1ccncc1)c1ncccn1
InChIInChI=1S/C11H12N4/c12-8-10(9-2-6-13-7-3-9)11-14-4-1-5-15-11/h1-7,10H,8,12H2
InChIKeyNWWFJJLQFGVGNT-UHFFFAOYSA-N
MW200.25 g/mol
LogP0.96
Rot. Bonds3

About 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine

2-pyridin-4-yl-2-pyrimidin-2-ylethanamine (PubChem CID 116833880) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-pyridin-4-yl-2-pyrimidin-2-ylethanamine
PubChem CID116833880
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-pyridin-4-yl-2-pyrimidin-2-ylethanamine
SMILESNCC(c1ccncc1)c1ncccn1
InChIInChI=1S/C11H12N4/c12-8-10(9-2-6-13-7-3-9)11-14-4-1-5-15-11/h1-7,10H,8,12H2
InChIKeyNWWFJJLQFGVGNT-UHFFFAOYSA-N
XLogP0.96
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine?
The IUPAC name of 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine (CID 116833880) is 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine is NCC(c1ccncc1)c1ncccn1.
What is the InChIKey of 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine?
The InChIKey is NWWFJJLQFGVGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-8-10(9-2-6-13-7-3-9)11-14-4-1-5-15-11/h1-7,10H,8,12H2.
What are the key properties of 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine?
2-pyridin-4-yl-2-pyrimidin-2-ylethanamine has a molecular weight of 200.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-2-pyrimidin-2-ylethanamine is sourced from PubChem (CID 116833880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).