5-methoxypyrimidine-2,4-diamine

C5H8N4O — CID 23423591

IUPAC5-methoxypyrimidine-2,4-diamine
SMILESCOc1cnc(N)nc1N
InChIInChI=1S/C5H8N4O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3,(H4,6,7,8,9)
InChIKeyPOKOCGWGFMPTIL-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.35
Rot. Bonds1

About 5-methoxypyrimidine-2,4-diamine

5-methoxypyrimidine-2,4-diamine (PubChem CID 23423591) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 5-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methoxypyrimidine-2,4-diamine
PubChem CID23423591
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name5-methoxypyrimidine-2,4-diamine
SMILESCOc1cnc(N)nc1N
InChIInChI=1S/C5H8N4O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3,(H4,6,7,8,9)
InChIKeyPOKOCGWGFMPTIL-UHFFFAOYSA-N
XLogP-0.35
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrimidine-2,4-diamine?
The IUPAC name of 5-methoxypyrimidine-2,4-diamine (CID 23423591) is 5-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 5-methoxypyrimidine-2,4-diamine is COc1cnc(N)nc1N.
What is the InChIKey of 5-methoxypyrimidine-2,4-diamine?
The InChIKey is POKOCGWGFMPTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3,(H4,6,7,8,9).
What are the key properties of 5-methoxypyrimidine-2,4-diamine?
5-methoxypyrimidine-2,4-diamine has a molecular weight of 140.15 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 23423591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).