2-chloro-N-ethylpyrimidin-4-amine

C6H8ClN3 — CID 23027192

IUPAC2-chloro-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(Cl)n1
InChIInChI=1S/C6H8ClN3/c1-2-8-5-3-4-9-6(7)10-5/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyCQIZRQZZERNHGF-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.56
Rot. Bonds2

About 2-chloro-N-ethylpyrimidin-4-amine

2-chloro-N-ethylpyrimidin-4-amine (PubChem CID 23027192) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-chloro-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethylpyrimidin-4-amine
PubChem CID23027192
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name2-chloro-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(Cl)n1
InChIInChI=1S/C6H8ClN3/c1-2-8-5-3-4-9-6(7)10-5/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyCQIZRQZZERNHGF-UHFFFAOYSA-N
XLogP1.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethylpyrimidin-4-amine (CID 23027192) is 2-chloro-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethylpyrimidin-4-amine is CCNc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-ethylpyrimidin-4-amine?
The InChIKey is CQIZRQZZERNHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-2-8-5-3-4-9-6(7)10-5/h3-4H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-chloro-N-ethylpyrimidin-4-amine?
2-chloro-N-ethylpyrimidin-4-amine has a molecular weight of 157.60 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 23027192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).