(4-chloropyrimidin-2-yl)methanamine;hydrochloride

C5H7Cl2N3 — CID 71301536

IUPAC(4-chloropyrimidin-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nccc(Cl)n1
InChIInChI=1S/C5H6ClN3.ClH/c6-4-1-2-8-5(3-7)9-4;/h1-2H,3,7H2;1H
InChIKeyFUZGKSPDRZBBKK-UHFFFAOYSA-N
MW180.04 g/mol
LogP1.01
Rot. Bonds1

About (4-chloropyrimidin-2-yl)methanamine;hydrochloride

(4-chloropyrimidin-2-yl)methanamine;hydrochloride (PubChem CID 71301536) has the molecular formula C5H7Cl2N3 and a molecular weight of 180.04 g/mol. Its IUPAC name is (4-chloropyrimidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chloropyrimidin-2-yl)methanamine;hydrochloride
PubChem CID71301536
Molecular FormulaC5H7Cl2N3
Molecular Weight180.04 g/mol
Exact Mass179.00
IUPAC Name(4-chloropyrimidin-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nccc(Cl)n1
InChIInChI=1S/C5H6ClN3.ClH/c6-4-1-2-8-5(3-7)9-4;/h1-2H,3,7H2;1H
InChIKeyFUZGKSPDRZBBKK-UHFFFAOYSA-N
XLogP1.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloropyrimidin-2-yl)methanamine;hydrochloride?
The IUPAC name of (4-chloropyrimidin-2-yl)methanamine;hydrochloride (CID 71301536) is (4-chloropyrimidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-chloropyrimidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for (4-chloropyrimidin-2-yl)methanamine;hydrochloride is Cl.NCc1nccc(Cl)n1.
What is the InChIKey of (4-chloropyrimidin-2-yl)methanamine;hydrochloride?
The InChIKey is FUZGKSPDRZBBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3.ClH/c6-4-1-2-8-5(3-7)9-4;/h1-2H,3,7H2;1H.
What are the key properties of (4-chloropyrimidin-2-yl)methanamine;hydrochloride?
(4-chloropyrimidin-2-yl)methanamine;hydrochloride has a molecular weight of 180.04 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrimidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 71301536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).