2-N-methylpyrimidine-2,4-diamine

C5H8N4 — CID 817707

IUPAC2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(N)n1
InChIInChI=1S/C5H8N4/c1-7-5-8-3-2-4(6)9-5/h2-3H,1H3,(H3,6,7,8,9)
InChIKeyFZRFGFQUXQUVAS-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.10
Rot. Bonds1

About 2-N-methylpyrimidine-2,4-diamine

2-N-methylpyrimidine-2,4-diamine (PubChem CID 817707) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methylpyrimidine-2,4-diamine
PubChem CID817707
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(N)n1
InChIInChI=1S/C5H8N4/c1-7-5-8-3-2-4(6)9-5/h2-3H,1H3,(H3,6,7,8,9)
InChIKeyFZRFGFQUXQUVAS-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 2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-methylpyrimidine-2,4-diamine (CID 817707) is 2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methylpyrimidine-2,4-diamine is CNc1nccc(N)n1.
What is the InChIKey of 2-N-methylpyrimidine-2,4-diamine?
The InChIKey is FZRFGFQUXQUVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-7-5-8-3-2-4(6)9-5/h2-3H,1H3,(H3,6,7,8,9).
What are the key properties of 2-N-methylpyrimidine-2,4-diamine?
2-N-methylpyrimidine-2,4-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 2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 817707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).