4-N-methylpyrimidine-4,5,6-triamine

C5H9N5 — CID 816958

IUPAC4-N-methylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(N)c1N
InChIInChI=1S/C5H9N5/c1-8-5-3(6)4(7)9-2-10-5/h2H,6H2,1H3,(H3,7,8,9,10)
InChIKeyPNMBONWGJZRFCL-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.32
Rot. Bonds1

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

4-N-methylpyrimidine-4,5,6-triamine (PubChem CID 816958) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-N-methylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-methylpyrimidine-4,5,6-triamine
PubChem CID816958
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name4-N-methylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(N)c1N
InChIInChI=1S/C5H9N5/c1-8-5-3(6)4(7)9-2-10-5/h2H,6H2,1H3,(H3,7,8,9,10)
InChIKeyPNMBONWGJZRFCL-UHFFFAOYSA-N
XLogP-0.32
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-methylpyrimidine-4,5,6-triamine (CID 816958) is 4-N-methylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-methylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-methylpyrimidine-4,5,6-triamine is CNc1ncnc(N)c1N.
What is the InChIKey of 4-N-methylpyrimidine-4,5,6-triamine?
The InChIKey is PNMBONWGJZRFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-8-5-3(6)4(7)9-2-10-5/h2H,6H2,1H3,(H3,7,8,9,10).
What are the key properties of 4-N-methylpyrimidine-4,5,6-triamine?
4-N-methylpyrimidine-4,5,6-triamine has a molecular weight of 139.16 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 816958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).