formic acid;6-methylpyrimidine-2,4-diamine

C6H10N4O2 — CID 175141048

IUPACformic acid;6-methylpyrimidine-2,4-diamine
SMILESCc1cc(N)nc(N)n1.O=CO
InChIInChI=1S/C5H8N4.CH2O2/c1-3-2-4(6)9-5(7)8-3;2-1-3/h2H,1H3,(H4,6,7,8,9);1H,(H,2,3)
InChIKeyCUSPHLMUNRUXFJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.35
Rot. Bonds

About formic acid;6-methylpyrimidine-2,4-diamine

formic acid;6-methylpyrimidine-2,4-diamine (PubChem CID 175141048) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is formic acid;6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Nameformic acid;6-methylpyrimidine-2,4-diamine
PubChem CID175141048
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Nameformic acid;6-methylpyrimidine-2,4-diamine
SMILESCc1cc(N)nc(N)n1.O=CO
InChIInChI=1S/C5H8N4.CH2O2/c1-3-2-4(6)9-5(7)8-3;2-1-3/h2H,1H3,(H4,6,7,8,9);1H,(H,2,3)
InChIKeyCUSPHLMUNRUXFJ-UHFFFAOYSA-N
XLogP-0.35
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;6-methylpyrimidine-2,4-diamine?
The IUPAC name of formic acid;6-methylpyrimidine-2,4-diamine (CID 175141048) is formic acid;6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for formic acid;6-methylpyrimidine-2,4-diamine?
The canonical SMILES for formic acid;6-methylpyrimidine-2,4-diamine is Cc1cc(N)nc(N)n1.O=CO.
What is the InChIKey of formic acid;6-methylpyrimidine-2,4-diamine?
The InChIKey is CUSPHLMUNRUXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.CH2O2/c1-3-2-4(6)9-5(7)8-3;2-1-3/h2H,1H3,(H4,6,7,8,9);1H,(H,2,3).
What are the key properties of formic acid;6-methylpyrimidine-2,4-diamine?
formic acid;6-methylpyrimidine-2,4-diamine has a molecular weight of 170.17 g/mol, XLogP of -0.35, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 175141048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).