2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one

C22H21N5O2 — CID 135762523

IUPAC2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCCOc1cccc2c(C)nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc12
InChIInChI=1S/C22H21N5O2/c1-4-29-18-11-7-10-16-14(3)23-21(26-20(16)18)27-22-24-17(12-19(28)25-22)15-9-6-5-8-13(15)2/h5-12H,4H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyULQYYFFNODSLOZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.14
Rot. Bonds5

About 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one

2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 135762523) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
PubChem CID135762523
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCCOc1cccc2c(C)nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc12
InChIInChI=1S/C22H21N5O2/c1-4-29-18-11-7-10-16-14(3)23-21(26-20(16)18)27-22-24-17(12-19(28)25-22)15-9-6-5-8-13(15)2/h5-12H,4H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyULQYYFFNODSLOZ-UHFFFAOYSA-N
XLogP4.14
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one (CID 135762523) is 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one is CCOc1cccc2c(C)nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc12.
What is the InChIKey of 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is ULQYYFFNODSLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-4-29-18-11-7-10-16-14(3)23-21(26-20(16)18)27-22-24-17(12-19(28)25-22)15-9-6-5-8-13(15)2/h5-12H,4H2,1-3H3,(H2,23,24,25,26,27,28).
What are the key properties of 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 387.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135762523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).