2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one

C12H17N3O — CID 166057446

IUPAC2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cc2c(c(C(C)C)c1)NC(N)NC2=O
InChIInChI=1S/C12H17N3O/c1-6(2)8-4-7(3)5-9-10(8)14-12(13)15-11(9)16/h4-6,12,14H,13H2,1-3H3,(H,15,16)
InChIKeyPFQYYWBSCHXWTL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.52
Rot. Bonds1

About 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one

2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 166057446) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID166057446
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cc2c(c(C(C)C)c1)NC(N)NC2=O
InChIInChI=1S/C12H17N3O/c1-6(2)8-4-7(3)5-9-10(8)14-12(13)15-11(9)16/h4-6,12,14H,13H2,1-3H3,(H,15,16)
InChIKeyPFQYYWBSCHXWTL-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one (CID 166057446) is 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one is Cc1cc2c(c(C(C)C)c1)NC(N)NC2=O.
What is the InChIKey of 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is PFQYYWBSCHXWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-6(2)8-4-7(3)5-9-10(8)14-12(13)15-11(9)16/h4-6,12,14H,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one?
2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 219.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-8-propan-2-yl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 166057446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).