6-propan-2-ylpyrido[3,4-d]pyrimidine

C10H11N3 — CID 59592820

IUPAC6-propan-2-ylpyrido[3,4-d]pyrimidine
SMILESCC(C)c1cc2cncnc2cn1
InChIInChI=1S/C10H11N3/c1-7(2)9-3-8-4-11-6-13-10(8)5-12-9/h3-7H,1-2H3
InChIKeyQGXNFBMWAANKEZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.15
Rot. Bonds1

About 6-propan-2-ylpyrido[3,4-d]pyrimidine

6-propan-2-ylpyrido[3,4-d]pyrimidine (PubChem CID 59592820) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 6-propan-2-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-propan-2-ylpyrido[3,4-d]pyrimidine
PubChem CID59592820
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name6-propan-2-ylpyrido[3,4-d]pyrimidine
SMILESCC(C)c1cc2cncnc2cn1
InChIInChI=1S/C10H11N3/c1-7(2)9-3-8-4-11-6-13-10(8)5-12-9/h3-7H,1-2H3
InChIKeyQGXNFBMWAANKEZ-UHFFFAOYSA-N
XLogP2.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 6-propan-2-ylpyrido[3,4-d]pyrimidine (CID 59592820) is 6-propan-2-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 6-propan-2-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 6-propan-2-ylpyrido[3,4-d]pyrimidine is CC(C)c1cc2cncnc2cn1.
What is the InChIKey of 6-propan-2-ylpyrido[3,4-d]pyrimidine?
The InChIKey is QGXNFBMWAANKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7(2)9-3-8-4-11-6-13-10(8)5-12-9/h3-7H,1-2H3.
What are the key properties of 6-propan-2-ylpyrido[3,4-d]pyrimidine?
6-propan-2-ylpyrido[3,4-d]pyrimidine has a molecular weight of 173.22 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 59592820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).