1,4,4-trimethyl-2-propan-2-ylquinazoline

C14H20N2 — CID 174168784

IUPAC1,4,4-trimethyl-2-propan-2-ylquinazoline
SMILESCC(C)C1=NC(C)(C)c2ccccc2N1C
InChIInChI=1S/C14H20N2/c1-10(2)13-15-14(3,4)11-8-6-7-9-12(11)16(13)5/h6-10H,1-5H3
InChIKeyDFYHVMXQZAZIRE-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.43
Rot. Bonds1

About 1,4,4-trimethyl-2-propan-2-ylquinazoline

1,4,4-trimethyl-2-propan-2-ylquinazoline (PubChem CID 174168784) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1,4,4-trimethyl-2-propan-2-ylquinazoline.

Molecular Properties

Compound Name1,4,4-trimethyl-2-propan-2-ylquinazoline
PubChem CID174168784
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1,4,4-trimethyl-2-propan-2-ylquinazoline
SMILESCC(C)C1=NC(C)(C)c2ccccc2N1C
InChIInChI=1S/C14H20N2/c1-10(2)13-15-14(3,4)11-8-6-7-9-12(11)16(13)5/h6-10H,1-5H3
InChIKeyDFYHVMXQZAZIRE-UHFFFAOYSA-N
XLogP3.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-2-propan-2-ylquinazoline?
The IUPAC name of 1,4,4-trimethyl-2-propan-2-ylquinazoline (CID 174168784) is 1,4,4-trimethyl-2-propan-2-ylquinazoline.
What is the SMILES notation for 1,4,4-trimethyl-2-propan-2-ylquinazoline?
The canonical SMILES for 1,4,4-trimethyl-2-propan-2-ylquinazoline is CC(C)C1=NC(C)(C)c2ccccc2N1C.
What is the InChIKey of 1,4,4-trimethyl-2-propan-2-ylquinazoline?
The InChIKey is DFYHVMXQZAZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)13-15-14(3,4)11-8-6-7-9-12(11)16(13)5/h6-10H,1-5H3.
What are the key properties of 1,4,4-trimethyl-2-propan-2-ylquinazoline?
1,4,4-trimethyl-2-propan-2-ylquinazoline has a molecular weight of 216.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-2-propan-2-ylquinazoline is sourced from PubChem (CID 174168784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).