2-methylpyrimidine-4,5,6-triamine

C5H9N5 — CID 13008750

IUPAC2-methylpyrimidine-4,5,6-triamine
SMILESCc1nc(N)c(N)c(N)n1
InChIInChI=1S/C5H9N5/c1-2-9-4(7)3(6)5(8)10-2/h6H2,1H3,(H4,7,8,9,10)
InChIKeyGVAODCNTXLTJNZ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.47
Rot. Bonds

About 2-methylpyrimidine-4,5,6-triamine

2-methylpyrimidine-4,5,6-triamine (PubChem CID 13008750) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-methylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name2-methylpyrimidine-4,5,6-triamine
PubChem CID13008750
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name2-methylpyrimidine-4,5,6-triamine
SMILESCc1nc(N)c(N)c(N)n1
InChIInChI=1S/C5H9N5/c1-2-9-4(7)3(6)5(8)10-2/h6H2,1H3,(H4,7,8,9,10)
InChIKeyGVAODCNTXLTJNZ-UHFFFAOYSA-N
XLogP-0.47
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrimidine-4,5,6-triamine?
The IUPAC name of 2-methylpyrimidine-4,5,6-triamine (CID 13008750) is 2-methylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 2-methylpyrimidine-4,5,6-triamine?
The canonical SMILES for 2-methylpyrimidine-4,5,6-triamine is Cc1nc(N)c(N)c(N)n1.
What is the InChIKey of 2-methylpyrimidine-4,5,6-triamine?
The InChIKey is GVAODCNTXLTJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-2-9-4(7)3(6)5(8)10-2/h6H2,1H3,(H4,7,8,9,10).
What are the key properties of 2-methylpyrimidine-4,5,6-triamine?
2-methylpyrimidine-4,5,6-triamine has a molecular weight of 139.16 g/mol, XLogP of -0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 13008750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).