ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine

C18H25N5O — CID 144655612

IUPACethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine
SMILESCC.CC.Cc1occ2ncncc12.Cn1cc2cncnc2c1
InChIInChI=1S/C7H7N3.C7H6N2O.2C2H6/c1-10-3-6-2-8-5-9-7(6)4-10;1-5-6-2-8-4-9-7(6)3-10-5;2*1-2/h2-5H,1H3;2-4H,1H3;2*1-2H3
InChIKeyZAEUAWFLBRYLJA-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.55
Rot. Bonds

About ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine

ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine (PubChem CID 144655612) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Nameethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine
PubChem CID144655612
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Nameethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine
SMILESCC.CC.Cc1occ2ncncc12.Cn1cc2cncnc2c1
InChIInChI=1S/C7H7N3.C7H6N2O.2C2H6/c1-10-3-6-2-8-5-9-7(6)4-10;1-5-6-2-8-4-9-7(6)3-10-5;2*1-2/h2-5H,1H3;2-4H,1H3;2*1-2H3
InChIKeyZAEUAWFLBRYLJA-UHFFFAOYSA-N
XLogP4.55
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine?
The IUPAC name of ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine (CID 144655612) is ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine?
The canonical SMILES for ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine is CC.CC.Cc1occ2ncncc12.Cn1cc2cncnc2c1.
What is the InChIKey of ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine?
The InChIKey is ZAEUAWFLBRYLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C7H6N2O.2C2H6/c1-10-3-6-2-8-5-9-7(6)4-10;1-5-6-2-8-4-9-7(6)3-10-5;2*1-2/h2-5H,1H3;2-4H,1H3;2*1-2H3.
What are the key properties of ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine?
ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine has a molecular weight of 327.43 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylfuro[3,4-d]pyrimidine;6-methylpyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 144655612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).