5-(chloromethyl)-2-ethylpyrimidin-4-amine

C7H10ClN3 — CID 118060527

IUPAC5-(chloromethyl)-2-ethylpyrimidin-4-amine
SMILESCCc1ncc(CCl)c(N)n1
InChIInChI=1S/C7H10ClN3/c1-2-6-10-4-5(3-8)7(9)11-6/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyRMHBCKMEQJSNBM-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.36
Rot. Bonds2

About 5-(chloromethyl)-2-ethylpyrimidin-4-amine

5-(chloromethyl)-2-ethylpyrimidin-4-amine (PubChem CID 118060527) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-(chloromethyl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-2-ethylpyrimidin-4-amine
PubChem CID118060527
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name5-(chloromethyl)-2-ethylpyrimidin-4-amine
SMILESCCc1ncc(CCl)c(N)n1
InChIInChI=1S/C7H10ClN3/c1-2-6-10-4-5(3-8)7(9)11-6/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyRMHBCKMEQJSNBM-UHFFFAOYSA-N
XLogP1.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 5-(chloromethyl)-2-ethylpyrimidin-4-amine (CID 118060527) is 5-(chloromethyl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 5-(chloromethyl)-2-ethylpyrimidin-4-amine is CCc1ncc(CCl)c(N)n1.
What is the InChIKey of 5-(chloromethyl)-2-ethylpyrimidin-4-amine?
The InChIKey is RMHBCKMEQJSNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-2-6-10-4-5(3-8)7(9)11-6/h4H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 5-(chloromethyl)-2-ethylpyrimidin-4-amine?
5-(chloromethyl)-2-ethylpyrimidin-4-amine has a molecular weight of 171.63 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 118060527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).