4-N-methylpyrimidine-4,5-diamine

C5H8N4 — CID 12523164

IUPAC4-N-methylpyrimidine-4,5-diamine
SMILESCNc1ncncc1N
InChIInChI=1S/C5H8N4/c1-7-5-4(6)2-8-3-9-5/h2-3H,6H2,1H3,(H,7,8,9)
InChIKeyKLPOQSPEGNLKIY-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.10
Rot. Bonds1

About 4-N-methylpyrimidine-4,5-diamine

4-N-methylpyrimidine-4,5-diamine (PubChem CID 12523164) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-methylpyrimidine-4,5-diamine
PubChem CID12523164
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name4-N-methylpyrimidine-4,5-diamine
SMILESCNc1ncncc1N
InChIInChI=1S/C5H8N4/c1-7-5-4(6)2-8-3-9-5/h2-3H,6H2,1H3,(H,7,8,9)
InChIKeyKLPOQSPEGNLKIY-UHFFFAOYSA-N
XLogP0.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-methylpyrimidine-4,5-diamine (CID 12523164) is 4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-methylpyrimidine-4,5-diamine is CNc1ncncc1N.
What is the InChIKey of 4-N-methylpyrimidine-4,5-diamine?
The InChIKey is KLPOQSPEGNLKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-7-5-4(6)2-8-3-9-5/h2-3H,6H2,1H3,(H,7,8,9).
What are the key properties of 4-N-methylpyrimidine-4,5-diamine?
4-N-methylpyrimidine-4,5-diamine has a molecular weight of 124.15 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 12523164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).