(4-chloro-6-ethylpyrimidin-2-yl)methanamine

C7H10ClN3 — CID 55262955

IUPAC(4-chloro-6-ethylpyrimidin-2-yl)methanamine
SMILESCCc1cc(Cl)nc(CN)n1
InChIInChI=1S/C7H10ClN3/c1-2-5-3-6(8)11-7(4-9)10-5/h3H,2,4,9H2,1H3
InChIKeyHJJFVNSHLILRFF-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.15
Rot. Bonds2

About (4-chloro-6-ethylpyrimidin-2-yl)methanamine

(4-chloro-6-ethylpyrimidin-2-yl)methanamine (PubChem CID 55262955) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is (4-chloro-6-ethylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-6-ethylpyrimidin-2-yl)methanamine
PubChem CID55262955
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name(4-chloro-6-ethylpyrimidin-2-yl)methanamine
SMILESCCc1cc(Cl)nc(CN)n1
InChIInChI=1S/C7H10ClN3/c1-2-5-3-6(8)11-7(4-9)10-5/h3H,2,4,9H2,1H3
InChIKeyHJJFVNSHLILRFF-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-ethylpyrimidin-2-yl)methanamine?
The IUPAC name of (4-chloro-6-ethylpyrimidin-2-yl)methanamine (CID 55262955) is (4-chloro-6-ethylpyrimidin-2-yl)methanamine.
What is the SMILES notation for (4-chloro-6-ethylpyrimidin-2-yl)methanamine?
The canonical SMILES for (4-chloro-6-ethylpyrimidin-2-yl)methanamine is CCc1cc(Cl)nc(CN)n1.
What is the InChIKey of (4-chloro-6-ethylpyrimidin-2-yl)methanamine?
The InChIKey is HJJFVNSHLILRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-2-5-3-6(8)11-7(4-9)10-5/h3H,2,4,9H2,1H3.
What are the key properties of (4-chloro-6-ethylpyrimidin-2-yl)methanamine?
(4-chloro-6-ethylpyrimidin-2-yl)methanamine has a molecular weight of 171.63 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-ethylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 55262955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).