5-chloro-N-prop-2-enylpyrimidin-2-amine

C7H8ClN3 — CID 79555505

IUPAC5-chloro-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1ncc(Cl)cn1
InChIInChI=1S/C7H8ClN3/c1-2-3-9-7-10-4-6(8)5-11-7/h2,4-5H,1,3H2,(H,9,10,11)
InChIKeyXMUYDDBBSHRICK-UHFFFAOYSA-N
MW169.62 g/mol
LogP1.73
Rot. Bonds3

About 5-chloro-N-prop-2-enylpyrimidin-2-amine

5-chloro-N-prop-2-enylpyrimidin-2-amine (PubChem CID 79555505) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 5-chloro-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-prop-2-enylpyrimidin-2-amine
PubChem CID79555505
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name5-chloro-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1ncc(Cl)cn1
InChIInChI=1S/C7H8ClN3/c1-2-3-9-7-10-4-6(8)5-11-7/h2,4-5H,1,3H2,(H,9,10,11)
InChIKeyXMUYDDBBSHRICK-UHFFFAOYSA-N
XLogP1.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-prop-2-enylpyrimidin-2-amine (CID 79555505) is 5-chloro-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-prop-2-enylpyrimidin-2-amine is C=CCNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is XMUYDDBBSHRICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-2-3-9-7-10-4-6(8)5-11-7/h2,4-5H,1,3H2,(H,9,10,11).
What are the key properties of 5-chloro-N-prop-2-enylpyrimidin-2-amine?
5-chloro-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 169.62 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 79555505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).