4-chloro-5-ethylpyrimidin-2-amine

C6H8ClN3 — CID 24903854

IUPAC4-chloro-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(N)nc1Cl
InChIInChI=1S/C6H8ClN3/c1-2-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyCAGLFJXFZUKPRK-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.27
Rot. Bonds1

About 4-chloro-5-ethylpyrimidin-2-amine

4-chloro-5-ethylpyrimidin-2-amine (PubChem CID 24903854) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 4-chloro-5-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-ethylpyrimidin-2-amine
PubChem CID24903854
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name4-chloro-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(N)nc1Cl
InChIInChI=1S/C6H8ClN3/c1-2-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyCAGLFJXFZUKPRK-UHFFFAOYSA-N
XLogP1.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-ethylpyrimidin-2-amine (CID 24903854) is 4-chloro-5-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-ethylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-ethylpyrimidin-2-amine is CCc1cnc(N)nc1Cl.
What is the InChIKey of 4-chloro-5-ethylpyrimidin-2-amine?
The InChIKey is CAGLFJXFZUKPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-2-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3,(H2,8,9,10).
What are the key properties of 4-chloro-5-ethylpyrimidin-2-amine?
4-chloro-5-ethylpyrimidin-2-amine has a molecular weight of 157.60 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethylpyrimidin-2-amine is sourced from PubChem (CID 24903854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).