2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine

C7H12N4O2 — CID 603528

IUPAC2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine
SMILESCONc1cc(C)nc(NOC)n1
InChIInChI=1S/C7H12N4O2/c1-5-4-6(10-12-2)9-7(8-5)11-13-3/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyQGTZNSHTOACCCM-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.73
Rot. Bonds4

About 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine

2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine (PubChem CID 603528) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine
PubChem CID603528
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine
SMILESCONc1cc(C)nc(NOC)n1
InChIInChI=1S/C7H12N4O2/c1-5-4-6(10-12-2)9-7(8-5)11-13-3/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyQGTZNSHTOACCCM-UHFFFAOYSA-N
XLogP0.73
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine (CID 603528) is 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine is CONc1cc(C)nc(NOC)n1.
What is the InChIKey of 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine?
The InChIKey is QGTZNSHTOACCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5-4-6(10-12-2)9-7(8-5)11-13-3/h4H,1-3H3,(H2,8,9,10,11).
What are the key properties of 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine?
2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine has a molecular weight of 184.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethoxy-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 603528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).