2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one

C24H25N5O — CID 135882024

IUPAC2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
SMILESCCc1ccc2nc(Nc3nc(C)c(CCc4ccccc4)c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C24H25N5O/c1-4-17-11-13-21-20(14-17)16(3)26-23(27-21)29-24-25-15(2)19(22(30)28-24)12-10-18-8-6-5-7-9-18/h5-9,11,13-14H,4,10,12H2,1-3H3,(H2,25,26,27,28,29,30)
InChIKeyYWJWKMMLUMSXEC-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.42
Rot. Bonds6

About 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one

2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one (PubChem CID 135882024) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
PubChem CID135882024
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
SMILESCCc1ccc2nc(Nc3nc(C)c(CCc4ccccc4)c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C24H25N5O/c1-4-17-11-13-21-20(14-17)16(3)26-23(27-21)29-24-25-15(2)19(22(30)28-24)12-10-18-8-6-5-7-9-18/h5-9,11,13-14H,4,10,12H2,1-3H3,(H2,25,26,27,28,29,30)
InChIKeyYWJWKMMLUMSXEC-UHFFFAOYSA-N
XLogP4.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one (CID 135882024) is 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one is CCc1ccc2nc(Nc3nc(C)c(CCc4ccccc4)c(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one?
The InChIKey is YWJWKMMLUMSXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-4-17-11-13-21-20(14-17)16(3)26-23(27-21)29-24-25-15(2)19(22(30)28-24)12-10-18-8-6-5-7-9-18/h5-9,11,13-14H,4,10,12H2,1-3H3,(H2,25,26,27,28,29,30).
What are the key properties of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one?
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one has a molecular weight of 399.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135882024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).