6-methylpyrimidine-4,5-diamine;hydrochloride

C5H9ClN4 — CID 121230800

IUPAC6-methylpyrimidine-4,5-diamine;hydrochloride
SMILESCc1ncnc(N)c1N.Cl
InChIInChI=1S/C5H8N4.ClH/c1-3-4(6)5(7)9-2-8-3;/h2H,6H2,1H3,(H2,7,8,9);1H
InChIKeyRDEAIXCQHPPMRE-UHFFFAOYSA-N
MW160.61 g/mol
LogP0.37
Rot. Bonds

About 6-methylpyrimidine-4,5-diamine;hydrochloride

6-methylpyrimidine-4,5-diamine;hydrochloride (PubChem CID 121230800) has the molecular formula C5H9ClN4 and a molecular weight of 160.61 g/mol. Its IUPAC name is 6-methylpyrimidine-4,5-diamine;hydrochloride.

Molecular Properties

Compound Name6-methylpyrimidine-4,5-diamine;hydrochloride
PubChem CID121230800
Molecular FormulaC5H9ClN4
Molecular Weight160.61 g/mol
Exact Mass160.05
IUPAC Name6-methylpyrimidine-4,5-diamine;hydrochloride
SMILESCc1ncnc(N)c1N.Cl
InChIInChI=1S/C5H8N4.ClH/c1-3-4(6)5(7)9-2-8-3;/h2H,6H2,1H3,(H2,7,8,9);1H
InChIKeyRDEAIXCQHPPMRE-UHFFFAOYSA-N
XLogP0.37
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyrimidine-4,5-diamine;hydrochloride?
The IUPAC name of 6-methylpyrimidine-4,5-diamine;hydrochloride (CID 121230800) is 6-methylpyrimidine-4,5-diamine;hydrochloride.
What is the SMILES notation for 6-methylpyrimidine-4,5-diamine;hydrochloride?
The canonical SMILES for 6-methylpyrimidine-4,5-diamine;hydrochloride is Cc1ncnc(N)c1N.Cl.
What is the InChIKey of 6-methylpyrimidine-4,5-diamine;hydrochloride?
The InChIKey is RDEAIXCQHPPMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.ClH/c1-3-4(6)5(7)9-2-8-3;/h2H,6H2,1H3,(H2,7,8,9);1H.
What are the key properties of 6-methylpyrimidine-4,5-diamine;hydrochloride?
6-methylpyrimidine-4,5-diamine;hydrochloride has a molecular weight of 160.61 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrimidine-4,5-diamine;hydrochloride is sourced from PubChem (CID 121230800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).