7,8-ditert-butylpyrido[3,2-d]pyrimidine

C15H21N3 — CID 155403628

IUPAC7,8-ditert-butylpyrido[3,2-d]pyrimidine
SMILESCC(C)(C)c1cnc2cncnc2c1C(C)(C)C
InChIInChI=1S/C15H21N3/c1-14(2,3)10-7-17-11-8-16-9-18-13(11)12(10)15(4,5)6/h7-9H,1-6H3
InChIKeyBHBINMOXVBZIAX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds

About 7,8-ditert-butylpyrido[3,2-d]pyrimidine

7,8-ditert-butylpyrido[3,2-d]pyrimidine (PubChem CID 155403628) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 7,8-ditert-butylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name7,8-ditert-butylpyrido[3,2-d]pyrimidine
PubChem CID155403628
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name7,8-ditert-butylpyrido[3,2-d]pyrimidine
SMILESCC(C)(C)c1cnc2cncnc2c1C(C)(C)C
InChIInChI=1S/C15H21N3/c1-14(2,3)10-7-17-11-8-16-9-18-13(11)12(10)15(4,5)6/h7-9H,1-6H3
InChIKeyBHBINMOXVBZIAX-UHFFFAOYSA-N
XLogP3.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-ditert-butylpyrido[3,2-d]pyrimidine?
The IUPAC name of 7,8-ditert-butylpyrido[3,2-d]pyrimidine (CID 155403628) is 7,8-ditert-butylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 7,8-ditert-butylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 7,8-ditert-butylpyrido[3,2-d]pyrimidine is CC(C)(C)c1cnc2cncnc2c1C(C)(C)C.
What is the InChIKey of 7,8-ditert-butylpyrido[3,2-d]pyrimidine?
The InChIKey is BHBINMOXVBZIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-14(2,3)10-7-17-11-8-16-9-18-13(11)12(10)15(4,5)6/h7-9H,1-6H3.
What are the key properties of 7,8-ditert-butylpyrido[3,2-d]pyrimidine?
7,8-ditert-butylpyrido[3,2-d]pyrimidine has a molecular weight of 243.35 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-ditert-butylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 155403628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).