2-chloro-N-methylpyrimidin-5-amine;hydrochloride

C5H7Cl2N3 — CID 174657221

IUPAC2-chloro-N-methylpyrimidin-5-amine;hydrochloride
SMILESCNc1cnc(Cl)nc1.Cl
InChIInChI=1S/C5H6ClN3.ClH/c1-7-4-2-8-5(6)9-3-4;/h2-3,7H,1H3;1H
InChIKeyFLSDOGFYMPSVEI-UHFFFAOYSA-N
MW180.04 g/mol
LogP1.59
Rot. Bonds1

About 2-chloro-N-methylpyrimidin-5-amine;hydrochloride

2-chloro-N-methylpyrimidin-5-amine;hydrochloride (PubChem CID 174657221) has the molecular formula C5H7Cl2N3 and a molecular weight of 180.04 g/mol. Its IUPAC name is 2-chloro-N-methylpyrimidin-5-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-methylpyrimidin-5-amine;hydrochloride
PubChem CID174657221
Molecular FormulaC5H7Cl2N3
Molecular Weight180.04 g/mol
Exact Mass179.00
IUPAC Name2-chloro-N-methylpyrimidin-5-amine;hydrochloride
SMILESCNc1cnc(Cl)nc1.Cl
InChIInChI=1S/C5H6ClN3.ClH/c1-7-4-2-8-5(6)9-3-4;/h2-3,7H,1H3;1H
InChIKeyFLSDOGFYMPSVEI-UHFFFAOYSA-N
XLogP1.59
TPSA37.81 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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylpyrimidin-5-amine;hydrochloride?
The IUPAC name of 2-chloro-N-methylpyrimidin-5-amine;hydrochloride (CID 174657221) is 2-chloro-N-methylpyrimidin-5-amine;hydrochloride.
What is the SMILES notation for 2-chloro-N-methylpyrimidin-5-amine;hydrochloride?
The canonical SMILES for 2-chloro-N-methylpyrimidin-5-amine;hydrochloride is CNc1cnc(Cl)nc1.Cl.
What is the InChIKey of 2-chloro-N-methylpyrimidin-5-amine;hydrochloride?
The InChIKey is FLSDOGFYMPSVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3.ClH/c1-7-4-2-8-5(6)9-3-4;/h2-3,7H,1H3;1H.
What are the key properties of 2-chloro-N-methylpyrimidin-5-amine;hydrochloride?
2-chloro-N-methylpyrimidin-5-amine;hydrochloride has a molecular weight of 180.04 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylpyrimidin-5-amine;hydrochloride is sourced from PubChem (CID 174657221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).