4-tert-butylpyrido[4,3-d]pyrimidine

C11H13N3 — CID 58237685

IUPAC4-tert-butylpyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncnc2ccncc12
InChIInChI=1S/C11H13N3/c1-11(2,3)10-8-6-12-5-4-9(8)13-7-14-10/h4-7H,1-3H3
InChIKeyVOKIXGXWSFPFGX-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.32
Rot. Bonds

About 4-tert-butylpyrido[4,3-d]pyrimidine

4-tert-butylpyrido[4,3-d]pyrimidine (PubChem CID 58237685) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-tert-butylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-tert-butylpyrido[4,3-d]pyrimidine
PubChem CID58237685
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-tert-butylpyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncnc2ccncc12
InChIInChI=1S/C11H13N3/c1-11(2,3)10-8-6-12-5-4-9(8)13-7-14-10/h4-7H,1-3H3
InChIKeyVOKIXGXWSFPFGX-UHFFFAOYSA-N
XLogP2.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyrido[4,3-d]pyrimidine?
The IUPAC name of 4-tert-butylpyrido[4,3-d]pyrimidine (CID 58237685) is 4-tert-butylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-tert-butylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-tert-butylpyrido[4,3-d]pyrimidine is CC(C)(C)c1ncnc2ccncc12.
What is the InChIKey of 4-tert-butylpyrido[4,3-d]pyrimidine?
The InChIKey is VOKIXGXWSFPFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-11(2,3)10-8-6-12-5-4-9(8)13-7-14-10/h4-7H,1-3H3.
What are the key properties of 4-tert-butylpyrido[4,3-d]pyrimidine?
4-tert-butylpyrido[4,3-d]pyrimidine has a molecular weight of 187.25 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 58237685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).