4,6-dimethylpyrimidin-1-ium-2-amine chloride

C6H10ClN3 — CID 139084860

IUPAC4,6-dimethylpyrimidin-1-ium-2-amine chloride
SMILESCc1cc(C)[nH+]c(N)n1.[Cl-]
InChIInChI=1S/C6H9N3.ClH/c1-4-3-5(2)9-6(7)8-4;/h3H,1-2H3,(H2,7,8,9);1H
InChIKeyZVPNVVRFMZWANH-UHFFFAOYSA-N
MW159.62 g/mol
LogP-2.90
Rot. Bonds

About 4,6-dimethylpyrimidin-1-ium-2-amine chloride

4,6-dimethylpyrimidin-1-ium-2-amine chloride (PubChem CID 139084860) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 4,6-dimethylpyrimidin-1-ium-2-amine chloride.

Molecular Properties

Compound Name4,6-dimethylpyrimidin-1-ium-2-amine chloride
PubChem CID139084860
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name4,6-dimethylpyrimidin-1-ium-2-amine chloride
SMILESCc1cc(C)[nH+]c(N)n1.[Cl-]
InChIInChI=1S/C6H9N3.ClH/c1-4-3-5(2)9-6(7)8-4;/h3H,1-2H3,(H2,7,8,9);1H
InChIKeyZVPNVVRFMZWANH-UHFFFAOYSA-N
XLogP-2.90
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 5-2.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidin-1-ium-2-amine chloride?
The IUPAC name of 4,6-dimethylpyrimidin-1-ium-2-amine chloride (CID 139084860) is 4,6-dimethylpyrimidin-1-ium-2-amine chloride.
What is the SMILES notation for 4,6-dimethylpyrimidin-1-ium-2-amine chloride?
The canonical SMILES for 4,6-dimethylpyrimidin-1-ium-2-amine chloride is Cc1cc(C)[nH+]c(N)n1.[Cl-].
What is the InChIKey of 4,6-dimethylpyrimidin-1-ium-2-amine chloride?
The InChIKey is ZVPNVVRFMZWANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.ClH/c1-4-3-5(2)9-6(7)8-4;/h3H,1-2H3,(H2,7,8,9);1H.
What are the key properties of 4,6-dimethylpyrimidin-1-ium-2-amine chloride?
4,6-dimethylpyrimidin-1-ium-2-amine chloride has a molecular weight of 159.62 g/mol, XLogP of -2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidin-1-ium-2-amine chloride is sourced from PubChem (CID 139084860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).