(1S)-1-pyrimidin-2-ylethanamine

C6H9N3 — CID 55297727

IUPAC(1S)-1-pyrimidin-2-ylethanamine
SMILESC[C@H](N)c1ncccn1
InChIInChI=1S/C6H9N3/c1-5(7)6-8-3-2-4-9-6/h2-5H,7H2,1H3/t5-/m0/s1
InChIKeyGVPDKCZQAZOFJX-YFKPBYRVSA-N
MW123.16 g/mol
LogP0.50
Rot. Bonds1

About (1S)-1-pyrimidin-2-ylethanamine

(1S)-1-pyrimidin-2-ylethanamine (PubChem CID 55297727) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (1S)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-pyrimidin-2-ylethanamine
PubChem CID55297727
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(1S)-1-pyrimidin-2-ylethanamine
SMILESC[C@H](N)c1ncccn1
InChIInChI=1S/C6H9N3/c1-5(7)6-8-3-2-4-9-6/h2-5H,7H2,1H3/t5-/m0/s1
InChIKeyGVPDKCZQAZOFJX-YFKPBYRVSA-N
XLogP0.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopyrimidine
CID 7978
1-(2-Pyrimidinyl)piperazine
CID 88747
Pyrimidine
CID 9260
4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
2,4-Diaminopyrimidine
CID 67431
2-Cyanopyrimidine
CID 2757979
N-methylpyrimidin-2-amine
CID 265776
2-Methylpyrimidin-4-amine
CID 295763
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
4-Aminopyrimidine
CID 68958
2-O-Methylcytosine
CID 160679

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyrimidin-2-ylethanamine?
The IUPAC name of (1S)-1-pyrimidin-2-ylethanamine (CID 55297727) is (1S)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for (1S)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for (1S)-1-pyrimidin-2-ylethanamine is C[C@H](N)c1ncccn1.
What is the InChIKey of (1S)-1-pyrimidin-2-ylethanamine?
The InChIKey is GVPDKCZQAZOFJX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9N3/c1-5(7)6-8-3-2-4-9-6/h2-5H,7H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-pyrimidin-2-ylethanamine?
(1S)-1-pyrimidin-2-ylethanamine has a molecular weight of 123.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 55297727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).