2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one

C20H25N5O2 — CID 135399523

IUPAC2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCOc1ccc2nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C20H25N5O2/c1-11(2)6-8-15-12(3)21-20(24-18(15)26)25-19-22-13(4)16-10-14(27-5)7-9-17(16)23-19/h7,9-11H,6,8H2,1-5H3,(H2,21,22,23,24,25,26)
InChIKeyFTYJXDUDIZLBIW-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.67
Rot. Bonds6

About 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one (PubChem CID 135399523) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
PubChem CID135399523
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCOc1ccc2nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C20H25N5O2/c1-11(2)6-8-15-12(3)21-20(24-18(15)26)25-19-22-13(4)16-10-14(27-5)7-9-17(16)23-19/h7,9-11H,6,8H2,1-5H3,(H2,21,22,23,24,25,26)
InChIKeyFTYJXDUDIZLBIW-UHFFFAOYSA-N
XLogP3.67
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one (CID 135399523) is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one is COc1ccc2nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The InChIKey is FTYJXDUDIZLBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-11(2)6-8-15-12(3)21-20(24-18(15)26)25-19-22-13(4)16-10-14(27-5)7-9-17(16)23-19/h7,9-11H,6,8H2,1-5H3,(H2,21,22,23,24,25,26).
What are the key properties of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one has a molecular weight of 367.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135399523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).