2-pyrimidin-4-ylethanamine

C6H9N3 — CID 18676268

IUPAC2-pyrimidin-4-ylethanamine
SMILESNCCc1ccncn1
InChIInChI=1S/C6H9N3/c7-3-1-6-2-4-8-5-9-6/h2,4-5H,1,3,7H2
InChIKeySQMGXCMBLRNMIB-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.02
Rot. Bonds2

About 2-pyrimidin-4-ylethanamine

2-pyrimidin-4-ylethanamine (PubChem CID 18676268) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-pyrimidin-4-ylethanamine
PubChem CID18676268
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-pyrimidin-4-ylethanamine
SMILESNCCc1ccncn1
InChIInChI=1S/C6H9N3/c7-3-1-6-2-4-8-5-9-6/h2,4-5H,1,3,7H2
InChIKeySQMGXCMBLRNMIB-UHFFFAOYSA-N
XLogP-0.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-ylethanamine?
The IUPAC name of 2-pyrimidin-4-ylethanamine (CID 18676268) is 2-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-pyrimidin-4-ylethanamine is NCCc1ccncn1.
What is the InChIKey of 2-pyrimidin-4-ylethanamine?
The InChIKey is SQMGXCMBLRNMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-3-1-6-2-4-8-5-9-6/h2,4-5H,1,3,7H2.
What are the key properties of 2-pyrimidin-4-ylethanamine?
2-pyrimidin-4-ylethanamine has a molecular weight of 123.16 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-ylethanamine is sourced from PubChem (CID 18676268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).