2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

C17H19N5O3 — CID 135697707

IUPAC2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncccn1
InChIInChI=1S/C17H19N5O3/c1-4-22(17-18-6-5-7-19-17)10-15-20-12-9-14(25-3)13(24-2)8-11(12)16(23)21-15/h5-9H,4,10H2,1-3H3,(H,20,21,23)
InChIKeyPQYBACFFZMUBBE-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.76
Rot. Bonds6

About 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 135697707) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID135697707
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncccn1
InChIInChI=1S/C17H19N5O3/c1-4-22(17-18-6-5-7-19-17)10-15-20-12-9-14(25-3)13(24-2)8-11(12)16(23)21-15/h5-9H,4,10H2,1-3H3,(H,20,21,23)
InChIKeyPQYBACFFZMUBBE-UHFFFAOYSA-N
XLogP1.76
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile
CID 135697728
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135697716
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
2-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808562
2-[[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135894270
2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 136733875
(2S)-2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-methylbutanamide
CID 137132828
2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137154641
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 137156480

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (CID 135697707) is 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncccn1.
What is the InChIKey of 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is PQYBACFFZMUBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-4-22(17-18-6-5-7-19-17)10-15-20-12-9-14(25-3)13(24-2)8-11(12)16(23)21-15/h5-9H,4,10H2,1-3H3,(H,20,21,23).
What are the key properties of 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 341.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135697707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).