(4-amino-2-methylpyrimidin-5-yl)methylazanium

C6H11N4+ — CID 6946837

IUPAC(4-amino-2-methylpyrimidin-5-yl)methylazanium
SMILESCc1ncc(C[NH3+])c(N)n1
InChIInChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)/p+1
InChIKeyOZOHTVFCSKFMLL-UHFFFAOYSA-O
MW139.18 g/mol
LogP-0.89
Rot. Bonds1

About (4-amino-2-methylpyrimidin-5-yl)methylazanium

(4-amino-2-methylpyrimidin-5-yl)methylazanium (PubChem CID 6946837) has the molecular formula C6H11N4+ and a molecular weight of 139.18 g/mol. Its IUPAC name is (4-amino-2-methylpyrimidin-5-yl)methylazanium.

Molecular Properties

Compound Name(4-amino-2-methylpyrimidin-5-yl)methylazanium
PubChem CID6946837
Molecular FormulaC6H11N4+
Molecular Weight139.18 g/mol
Exact Mass139.10
IUPAC Name(4-amino-2-methylpyrimidin-5-yl)methylazanium
SMILESCc1ncc(C[NH3+])c(N)n1
InChIInChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)/p+1
InChIKeyOZOHTVFCSKFMLL-UHFFFAOYSA-O
XLogP-0.89
TPSA79.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpyrimidin-5-yl)methylazanium?
The IUPAC name of (4-amino-2-methylpyrimidin-5-yl)methylazanium (CID 6946837) is (4-amino-2-methylpyrimidin-5-yl)methylazanium.
What is the SMILES notation for (4-amino-2-methylpyrimidin-5-yl)methylazanium?
The canonical SMILES for (4-amino-2-methylpyrimidin-5-yl)methylazanium is Cc1ncc(C[NH3+])c(N)n1.
What is the InChIKey of (4-amino-2-methylpyrimidin-5-yl)methylazanium?
The InChIKey is OZOHTVFCSKFMLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)/p+1.
What are the key properties of (4-amino-2-methylpyrimidin-5-yl)methylazanium?
(4-amino-2-methylpyrimidin-5-yl)methylazanium has a molecular weight of 139.18 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpyrimidin-5-yl)methylazanium is sourced from PubChem (CID 6946837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).