2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C13H17N3O — CID 939072

IUPAC2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(NC3CC3)nc2C1
InChIInChI=1S/C13H17N3O/c1-13(2)5-10-9(11(17)6-13)7-14-12(16-10)15-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeySRTJCOPFMBONLF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.21
Rot. Bonds2

About 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 939072) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID939072
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(NC3CC3)nc2C1
InChIInChI=1S/C13H17N3O/c1-13(2)5-10-9(11(17)6-13)7-14-12(16-10)15-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeySRTJCOPFMBONLF-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 939072) is 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(NC3CC3)nc2C1.
What is the InChIKey of 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is SRTJCOPFMBONLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2)5-10-9(11(17)6-13)7-14-12(16-10)15-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 231.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 939072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).