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

C19H27N5O2 — CID 73357966

IUPAC5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCOCCC1C(=O)NC(Nc2nc(C)c3cc(C)cc(C)c3n2)NC1C
InChIInChI=1S/C19H27N5O2/c1-10-8-11(2)16-15(9-10)13(4)21-18(22-16)24-19-20-12(3)14(6-7-26-5)17(25)23-19/h8-9,12,14,19-20H,6-7H2,1-5H3,(H,23,25)(H,21,22,24)
InChIKeyUIWYFPSIVSTTKN-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.01
Rot. Bonds5

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

5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one (PubChem CID 73357966) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
PubChem CID73357966
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCOCCC1C(=O)NC(Nc2nc(C)c3cc(C)cc(C)c3n2)NC1C
InChIInChI=1S/C19H27N5O2/c1-10-8-11(2)16-15(9-10)13(4)21-18(22-16)24-19-20-12(3)14(6-7-26-5)17(25)23-19/h8-9,12,14,19-20H,6-7H2,1-5H3,(H,23,25)(H,21,22,24)
InChIKeyUIWYFPSIVSTTKN-UHFFFAOYSA-N
XLogP2.01
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The IUPAC name of 5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one (CID 73357966) is 5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one.
What is the SMILES notation for 5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The canonical SMILES for 5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one is COCCC1C(=O)NC(Nc2nc(C)c3cc(C)cc(C)c3n2)NC1C.
What is the InChIKey of 5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The InChIKey is UIWYFPSIVSTTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-10-8-11(2)16-15(9-10)13(4)21-18(22-16)24-19-20-12(3)14(6-7-26-5)17(25)23-19/h8-9,12,14,19-20H,6-7H2,1-5H3,(H,23,25)(H,21,22,24).
What are the key properties of 5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one has a molecular weight of 357.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-6-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one is sourced from PubChem (CID 73357966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).