1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride

C7H10Cl2N4 — CID 142754452

IUPAC1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride
SMILESCl.NC1CN(c2nccc(Cl)n2)C1
InChIInChI=1S/C7H9ClN4.ClH/c8-6-1-2-10-7(11-6)12-3-5(9)4-12;/h1-2,5H,3-4,9H2;1H
InChIKeyIJOWVTFLDMLIGG-UHFFFAOYSA-N
MW221.09 g/mol
LogP0.70
Rot. Bonds1

About 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride

1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride (PubChem CID 142754452) has the molecular formula C7H10Cl2N4 and a molecular weight of 221.09 g/mol. Its IUPAC name is 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride
PubChem CID142754452
Molecular FormulaC7H10Cl2N4
Molecular Weight221.09 g/mol
Exact Mass220.03
IUPAC Name1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride
SMILESCl.NC1CN(c2nccc(Cl)n2)C1
InChIInChI=1S/C7H9ClN4.ClH/c8-6-1-2-10-7(11-6)12-3-5(9)4-12;/h1-2,5H,3-4,9H2;1H
InChIKeyIJOWVTFLDMLIGG-UHFFFAOYSA-N
XLogP0.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine
CID 71643772
4-chloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 130067368
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
[1-(4-chloropyrimidin-2-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 87372576
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-amine;hydrochloride
CID 71638450
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278648
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 161200423
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride?
The IUPAC name of 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride (CID 142754452) is 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride?
The canonical SMILES for 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride is Cl.NC1CN(c2nccc(Cl)n2)C1.
What is the InChIKey of 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride?
The InChIKey is IJOWVTFLDMLIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4.ClH/c8-6-1-2-10-7(11-6)12-3-5(9)4-12;/h1-2,5H,3-4,9H2;1H.
What are the key properties of 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride?
1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride has a molecular weight of 221.09 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 142754452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).