[amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride

C6H9ClN4 — CID 121231371

IUPAC[amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride
SMILESCc1ccnc(C(N)=[NH2+])n1.[Cl-]
InChIInChI=1S/C6H8N4.ClH/c1-4-2-3-9-6(10-4)5(7)8;/h2-3H,1H3,(H3,7,8);1H
InChIKeyBKCLWGGAHPAYHE-UHFFFAOYSA-N
MW172.62 g/mol
LogP-4.75
Rot. Bonds1

About [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride

[amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride (PubChem CID 121231371) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride
PubChem CID121231371
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name[amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride
SMILESCc1ccnc(C(N)=[NH2+])n1.[Cl-]
InChIInChI=1S/C6H8N4.ClH/c1-4-2-3-9-6(10-4)5(7)8;/h2-3H,1H3,(H3,7,8);1H
InChIKeyBKCLWGGAHPAYHE-UHFFFAOYSA-N
XLogP-4.75
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 5-4.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride?
The IUPAC name of [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride (CID 121231371) is [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride.
What is the SMILES notation for [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride?
The canonical SMILES for [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride is Cc1ccnc(C(N)=[NH2+])n1.[Cl-].
What is the InChIKey of [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride?
The InChIKey is BKCLWGGAHPAYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4.ClH/c1-4-2-3-9-6(10-4)5(7)8;/h2-3H,1H3,(H3,7,8);1H.
What are the key properties of [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride?
[amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride has a molecular weight of 172.62 g/mol, XLogP of -4.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-methylpyrimidin-2-yl)methylidene]azanium chloride is sourced from PubChem (CID 121231371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).