6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine

C13H17N3 — CID 130336662

IUPAC6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine
SMILESCC(C)c1cc(C(C)C)c2ncncc2n1
InChIInChI=1S/C13H17N3/c1-8(2)10-5-11(9(3)4)16-12-6-14-7-15-13(10)12/h5-9H,1-4H3
InChIKeyVOEXNBHMIHIXAT-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds2

About 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine

6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine (PubChem CID 130336662) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine
PubChem CID130336662
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine
SMILESCC(C)c1cc(C(C)C)c2ncncc2n1
InChIInChI=1S/C13H17N3/c1-8(2)10-5-11(9(3)4)16-12-6-14-7-15-13(10)12/h5-9H,1-4H3
InChIKeyVOEXNBHMIHIXAT-UHFFFAOYSA-N
XLogP3.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine (CID 130336662) is 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine is CC(C)c1cc(C(C)C)c2ncncc2n1.
What is the InChIKey of 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine?
The InChIKey is VOEXNBHMIHIXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8(2)10-5-11(9(3)4)16-12-6-14-7-15-13(10)12/h5-9H,1-4H3.
What are the key properties of 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine?
6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine has a molecular weight of 215.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 130336662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).