2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline

C17H24N2 — CID 170416126

IUPAC2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline
SMILESCc1nc(C(C)C)c2c(C(C)C)cc(C)c(C)c2n1
InChIInChI=1S/C17H24N2/c1-9(2)14-8-11(5)12(6)17-15(14)16(10(3)4)18-13(7)19-17/h8-10H,1-7H3
InChIKeyXXHCCJKAOIDFRG-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.80
Rot. Bonds2

About 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline

2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline (PubChem CID 170416126) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline.

Molecular Properties

Compound Name2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline
PubChem CID170416126
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline
SMILESCc1nc(C(C)C)c2c(C(C)C)cc(C)c(C)c2n1
InChIInChI=1S/C17H24N2/c1-9(2)14-8-11(5)12(6)17-15(14)16(10(3)4)18-13(7)19-17/h8-10H,1-7H3
InChIKeyXXHCCJKAOIDFRG-UHFFFAOYSA-N
XLogP4.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline?
The IUPAC name of 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline (CID 170416126) is 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline.
What is the SMILES notation for 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline?
The canonical SMILES for 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline is Cc1nc(C(C)C)c2c(C(C)C)cc(C)c(C)c2n1.
What is the InChIKey of 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline?
The InChIKey is XXHCCJKAOIDFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-9(2)14-8-11(5)12(6)17-15(14)16(10(3)4)18-13(7)19-17/h8-10H,1-7H3.
What are the key properties of 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline?
2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline has a molecular weight of 256.39 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline is sourced from PubChem (CID 170416126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).