6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione

C18H15N5O4 — CID 2314626

IUPAC6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCc1nn2c(nc(=O)c3ccccc32)c1=Cc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C18H15N5O4/c1-9-11(8-12-16(25)21(2)18(27)22(3)17(12)26)14-19-15(24)10-6-4-5-7-13(10)23(14)20-9/h4-8,25H,1-3H3
InChIKeyPTQBUVGMDSOBPC-UHFFFAOYSA-N
MW365.35 g/mol
LogP-0.80
Rot. Bonds1

About 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 2314626) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID2314626
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCc1nn2c(nc(=O)c3ccccc32)c1=Cc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C18H15N5O4/c1-9-11(8-12-16(25)21(2)18(27)22(3)17(12)26)14-19-15(24)10-6-4-5-7-13(10)23(14)20-9/h4-8,25H,1-3H3
InChIKeyPTQBUVGMDSOBPC-UHFFFAOYSA-N
XLogP-0.80
TPSA111.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(Z)-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135548542
6-hydroxy-1,3-dimethyl-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrimidine-2,4-dione
CID 2294119
5-[(E)-(2-benzoylindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135473984
methyl (3E)-3-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]indole-2-carboxylate
CID 135478081
N-[2-[(2Z)-2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]-7-methylindol-3-yl]ethyl]butanamide
CID 135795778
5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135544675
1,3,11-trimethylpurino[8,7-b]quinazoline-2,4,6-trione
CID 10267450
6-hydroxy-1,3-dimethyl-5-[(4-phenyldiazenylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137073260
1-ethyl-3-[2-[2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]thiourea
CID 2024389
5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 53213202
1-amino-3-methylquinazoline-2,4-dione
CID 14937715
ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate
CID 15441886

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione (CID 2314626) is 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione is Cc1nn2c(nc(=O)c3ccccc32)c1=Cc1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is PTQBUVGMDSOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-9-11(8-12-16(25)21(2)18(27)22(3)17(12)26)14-19-15(24)10-6-4-5-7-13(10)23(14)20-9/h4-8,25H,1-3H3.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 365.35 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2314626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).