N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine

C13H16N4 — CID 62757130

IUPACN-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Cc2ccccn2)nc1
InChIInChI=1S/C13H16N4/c1-2-14-8-11-9-16-13(17-10-11)7-12-5-3-4-6-15-12/h3-6,9-10,14H,2,7-8H2,1H3
InChIKeyMGSHXZHHNVCRJW-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.57
Rot. Bonds5

About N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine

N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 62757130) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID62757130
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Cc2ccccn2)nc1
InChIInChI=1S/C13H16N4/c1-2-14-8-11-9-16-13(17-10-11)7-12-5-3-4-6-15-12/h3-6,9-10,14H,2,7-8H2,1H3
InChIKeyMGSHXZHHNVCRJW-UHFFFAOYSA-N
XLogP1.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine (CID 62757130) is N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(Cc2ccccn2)nc1.
What is the InChIKey of N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is MGSHXZHHNVCRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-14-8-11-9-16-13(17-10-11)7-12-5-3-4-6-15-12/h3-6,9-10,14H,2,7-8H2,1H3.
What are the key properties of N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 228.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 62757130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).