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

C22H21N5O2 — CID 135895753

IUPAC2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C22H21N5O2/c1-4-29-15-9-10-18-17(11-15)14(3)23-21(24-18)27-22-25-19(12-20(28)26-22)16-8-6-5-7-13(16)2/h5-12H,4H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyCEGCNHZHIPZCJZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.14
Rot. Bonds5

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

2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 135895753) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
PubChem CID135895753
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C22H21N5O2/c1-4-29-15-9-10-18-17(11-15)14(3)23-21(24-18)27-22-25-19(12-20(28)26-22)16-8-6-5-7-13(16)2/h5-12H,4H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyCEGCNHZHIPZCJZ-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-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one (CID 135895753) is 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one is CCOc1ccc2nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is CEGCNHZHIPZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-4-29-15-9-10-18-17(11-15)14(3)23-21(24-18)27-22-25-19(12-20(28)26-22)16-8-6-5-7-13(16)2/h5-12H,4H2,1-3H3,(H2,23,24,25,26,27,28).
What are the key properties of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one?
2-[(6-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-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135895753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).