2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride

C8H13Cl2N3 — CID 71298998

IUPAC2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
SMILESCc1ccnc(C2CNC2)n1.Cl.Cl
InChIInChI=1S/C8H11N3.2ClH/c1-6-2-3-10-8(11-6)7-4-9-5-7;;/h2-3,7,9H,4-5H2,1H3;2*1H
InChIKeyPQAWSRJKENHPPD-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.32
Rot. Bonds1

About 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride

2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride (PubChem CID 71298998) has the molecular formula C8H13Cl2N3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
PubChem CID71298998
Molecular FormulaC8H13Cl2N3
Molecular Weight222.12 g/mol
Exact Mass221.05
IUPAC Name2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
SMILESCc1ccnc(C2CNC2)n1.Cl.Cl
InChIInChI=1S/C8H11N3.2ClH/c1-6-2-3-10-8(11-6)7-4-9-5-7;;/h2-3,7,9H,4-5H2,1H3;2*1H
InChIKeyPQAWSRJKENHPPD-UHFFFAOYSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride?
The IUPAC name of 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride (CID 71298998) is 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride is Cc1ccnc(C2CNC2)n1.Cl.Cl.
What is the InChIKey of 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride?
The InChIKey is PQAWSRJKENHPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.2ClH/c1-6-2-3-10-8(11-6)7-4-9-5-7;;/h2-3,7,9H,4-5H2,1H3;2*1H.
What are the key properties of 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride?
2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride has a molecular weight of 222.12 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride is sourced from PubChem (CID 71298998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).