2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one

C17H23N5O — CID 78211521

IUPAC2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one
SMILESCCC1C(=O)NC(Nc2nc(C)c3cccc(C)c3n2)NC1C
InChIInChI=1S/C17H23N5O/c1-5-12-10(3)18-17(21-15(12)23)22-16-19-11(4)13-8-6-7-9(2)14(13)20-16/h6-8,10,12,17-18H,5H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyAYXYKXSUCLLSSL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.08
Rot. Bonds3

About 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one

2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one (PubChem CID 78211521) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one
PubChem CID78211521
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one
SMILESCCC1C(=O)NC(Nc2nc(C)c3cccc(C)c3n2)NC1C
InChIInChI=1S/C17H23N5O/c1-5-12-10(3)18-17(21-15(12)23)22-16-19-11(4)13-8-6-7-9(2)14(13)20-16/h6-8,10,12,17-18H,5H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyAYXYKXSUCLLSSL-UHFFFAOYSA-N
XLogP2.08
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one with MolForge

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Related Compounds

5-decyl-6-methyl-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 73357984
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one
CID 73357960
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
CID 73258096
5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
CID 73298569
5-[(3-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
CID 73357951
6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78214804
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
CID 73298570
methane;2,4,8-trimethylquinazoline
CID 159057761
6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 122362586
methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate
CID 30466131
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645257
4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 17228617

Frequently Asked Questions

What is the IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one?
The IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one (CID 78211521) is 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one?
The canonical SMILES for 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one is CCC1C(=O)NC(Nc2nc(C)c3cccc(C)c3n2)NC1C.
What is the InChIKey of 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one?
The InChIKey is AYXYKXSUCLLSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-5-12-10(3)18-17(21-15(12)23)22-16-19-11(4)13-8-6-7-9(2)14(13)20-16/h6-8,10,12,17-18H,5H2,1-4H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one?
2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one has a molecular weight of 313.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 78211521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).