5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C22H21N5O2 — CID 135882022

IUPAC5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCCc1c(C)nc(Nc2nc(-c3ccccc3)c3ccccc3n2)[nH]c1=O
InChIInChI=1S/C22H21N5O2/c1-14-16(12-13-29-2)20(28)26-21(23-14)27-22-24-18-11-7-6-10-17(18)19(25-22)15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H2,23,24,25,26,27,28)
InChIKeyCZVSPRCMESEXKK-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.62
Rot. Bonds6

About 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135882022) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID135882022
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCCc1c(C)nc(Nc2nc(-c3ccccc3)c3ccccc3n2)[nH]c1=O
InChIInChI=1S/C22H21N5O2/c1-14-16(12-13-29-2)20(28)26-21(23-14)27-22-24-18-11-7-6-10-17(18)19(25-22)15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H2,23,24,25,26,27,28)
InChIKeyCZVSPRCMESEXKK-UHFFFAOYSA-N
XLogP3.62
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 788084
ethyl 3-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135659120
N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
CID 86910075
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612093
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645254
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135467306
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135455921
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135449223
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 135882022) is 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is COCCc1c(C)nc(Nc2nc(-c3ccccc3)c3ccccc3n2)[nH]c1=O.
What is the InChIKey of 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is CZVSPRCMESEXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-16(12-13-29-2)20(28)26-21(23-14)27-22-24-18-11-7-6-10-17(18)19(25-22)15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H2,23,24,25,26,27,28).
What are the key properties of 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 387.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135882022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).