5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol

C11H15N3O2 — CID 163954296

IUPAC5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol
SMILESCC(O)CO.Cc1ccnc2ncncc12
InChIInChI=1S/C8H7N3.C3H8O2/c1-6-2-3-10-8-7(6)4-9-5-11-8;1-3(5)2-4/h2-5H,1H3;3-5H,2H2,1H3
InChIKeySBZSOHJXCQSCDO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.69
Rot. Bonds1

About 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol

5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol (PubChem CID 163954296) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol.

Molecular Properties

Compound Name5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol
PubChem CID163954296
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol
SMILESCC(O)CO.Cc1ccnc2ncncc12
InChIInChI=1S/C8H7N3.C3H8O2/c1-6-2-3-10-8-7(6)4-9-5-11-8;1-3(5)2-4/h2-5H,1H3;3-5H,2H2,1H3
InChIKeySBZSOHJXCQSCDO-UHFFFAOYSA-N
XLogP0.69
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol?
The IUPAC name of 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol (CID 163954296) is 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol.
What is the SMILES notation for 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol?
The canonical SMILES for 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol is CC(O)CO.Cc1ccnc2ncncc12.
What is the InChIKey of 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol?
The InChIKey is SBZSOHJXCQSCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C3H8O2/c1-6-2-3-10-8-7(6)4-9-5-11-8;1-3(5)2-4/h2-5H,1H3;3-5H,2H2,1H3.
What are the key properties of 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol?
5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol has a molecular weight of 221.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrido[2,3-d]pyrimidine;propane-1,2-diol is sourced from PubChem (CID 163954296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).