2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one

C19H23N5O2 — CID 2914681

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(C)c1c(O)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C19H23N5O2/c1-5-6-11(3)15-16(25)22-19(23-17(15)26)24-18-20-12(4)13-8-7-10(2)9-14(13)21-18/h7-9,11H,5-6H2,1-4H3,(H3,20,21,22,23,24,25,26)
InChIKeyGIROUTUQVFVYEY-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.68
Rot. Bonds5

About 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one

2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one (PubChem CID 2914681) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one
PubChem CID2914681
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(C)c1c(O)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C19H23N5O2/c1-5-6-11(3)15-16(25)22-19(23-17(15)26)24-18-20-12(4)13-8-7-10(2)9-14(13)21-18/h7-9,11H,5-6H2,1-4H3,(H3,20,21,22,23,24,25,26)
InChIKeyGIROUTUQVFVYEY-UHFFFAOYSA-N
XLogP3.68
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one (CID 2914681) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one is CCCC(C)c1c(O)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GIROUTUQVFVYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-5-6-11(3)15-16(25)22-19(23-17(15)26)24-18-20-12(4)13-8-7-10(2)9-14(13)21-18/h7-9,11H,5-6H2,1-4H3,(H3,20,21,22,23,24,25,26).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one has a molecular weight of 353.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-pentan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 2914681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).