2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine

C8H13N3O — CID 82652748

IUPAC2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine
SMILESCOCc1ccnc(CCN)n1
InChIInChI=1S/C8H13N3O/c1-12-6-7-3-5-10-8(11-7)2-4-9/h3,5H,2,4,6,9H2,1H3
InChIKeyYUDISKHKDSDHIP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.12
Rot. Bonds4

About 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine

2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine (PubChem CID 82652748) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine
PubChem CID82652748
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine
SMILESCOCc1ccnc(CCN)n1
InChIInChI=1S/C8H13N3O/c1-12-6-7-3-5-10-8(11-7)2-4-9/h3,5H,2,4,6,9H2,1H3
InChIKeyYUDISKHKDSDHIP-UHFFFAOYSA-N
XLogP0.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine (CID 82652748) is 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine is COCc1ccnc(CCN)n1.
What is the InChIKey of 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine?
The InChIKey is YUDISKHKDSDHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-12-6-7-3-5-10-8(11-7)2-4-9/h3,5H,2,4,6,9H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine?
2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine has a molecular weight of 167.21 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 82652748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).