cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride

C8H13Cl2N3 — CID 154801187

IUPACcyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.NC(c1ncccn1)C1CC1
InChIInChI=1S/C8H11N3.2ClH/c9-7(6-2-3-6)8-10-4-1-5-11-8;;/h1,4-7H,2-3,9H2;2*1H
InChIKeyZEIRNIJXZZBKHB-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.73
Rot. Bonds2

About cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride

cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride (PubChem CID 154801187) has the molecular formula C8H13Cl2N3 and a molecular weight of 222.12 g/mol. Its IUPAC name is cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Namecyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride
PubChem CID154801187
Molecular FormulaC8H13Cl2N3
Molecular Weight222.12 g/mol
Exact Mass221.05
IUPAC Namecyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.NC(c1ncccn1)C1CC1
InChIInChI=1S/C8H11N3.2ClH/c9-7(6-2-3-6)8-10-4-1-5-11-8;;/h1,4-7H,2-3,9H2;2*1H
InChIKeyZEIRNIJXZZBKHB-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride?
The IUPAC name of cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride (CID 154801187) is cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride?
The canonical SMILES for cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride is Cl.Cl.NC(c1ncccn1)C1CC1.
What is the InChIKey of cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride?
The InChIKey is ZEIRNIJXZZBKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.2ClH/c9-7(6-2-3-6)8-10-4-1-5-11-8;;/h1,4-7H,2-3,9H2;2*1H.
What are the key properties of cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride?
cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride has a molecular weight of 222.12 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(pyrimidin-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 154801187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).