4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C16H24N4O — CID 66507778

IUPAC4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2c(N)nc(NC3CCCCC3)nc2C1
InChIInChI=1S/C16H24N4O/c1-16(2)8-11-13(12(21)9-16)14(17)20-15(19-11)18-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H3,17,18,19,20)
InChIKeyKSPCKTMCYJOVTC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.96
Rot. Bonds2

About 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 66507778) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID66507778
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2c(N)nc(NC3CCCCC3)nc2C1
InChIInChI=1S/C16H24N4O/c1-16(2)8-11-13(12(21)9-16)14(17)20-15(19-11)18-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H3,17,18,19,20)
InChIKeyKSPCKTMCYJOVTC-UHFFFAOYSA-N
XLogP2.96
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 66507778) is 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2c(N)nc(NC3CCCCC3)nc2C1.
What is the InChIKey of 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is KSPCKTMCYJOVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2)8-11-13(12(21)9-16)14(17)20-15(19-11)18-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 288.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 66507778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).