2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine

C13H16N4 — CID 62746300

IUPAC2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine
SMILESCc1nc(-c2ccncc2)nc(C)c1CCN
InChIInChI=1S/C13H16N4/c1-9-12(3-6-14)10(2)17-13(16-9)11-4-7-15-8-5-11/h4-5,7-8H,3,6,14H2,1-2H3
InChIKeyYVVMELSVXPZNNM-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.66
Rot. Bonds3

About 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine

2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine (PubChem CID 62746300) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine
PubChem CID62746300
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine
SMILESCc1nc(-c2ccncc2)nc(C)c1CCN
InChIInChI=1S/C13H16N4/c1-9-12(3-6-14)10(2)17-13(16-9)11-4-7-15-8-5-11/h4-5,7-8H,3,6,14H2,1-2H3
InChIKeyYVVMELSVXPZNNM-UHFFFAOYSA-N
XLogP1.66
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine (CID 62746300) is 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine is Cc1nc(-c2ccncc2)nc(C)c1CCN.
What is the InChIKey of 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine?
The InChIKey is YVVMELSVXPZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-12(3-6-14)10(2)17-13(16-9)11-4-7-15-8-5-11/h4-5,7-8H,3,6,14H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine?
2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine has a molecular weight of 228.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 62746300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).