6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione

C16H15N5O6 — CID 3339869

IUPAC6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(c2ccncc2)c2c(O)n(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C16H15N5O6/c1-20-13(24)9(11(22)18-15(20)26)8(7-3-5-17-6-4-7)10-12(23)19-16(27)21(2)14(10)25/h3-6,8,24-25H,1-2H3,(H,18,22,26)(H,19,23,27)
InChIKeyDUVCUUKYQRZLSN-UHFFFAOYSA-N
MW373.33 g/mol
LogP-1.55
Rot. Bonds3

About 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione

6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione (PubChem CID 3339869) has the molecular formula C16H15N5O6 and a molecular weight of 373.33 g/mol. Its IUPAC name is 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione
PubChem CID3339869
Molecular FormulaC16H15N5O6
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(c2ccncc2)c2c(O)n(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C16H15N5O6/c1-20-13(24)9(11(22)18-15(20)26)8(7-3-5-17-6-4-7)10-12(23)19-16(27)21(2)14(10)25/h3-6,8,24-25H,1-2H3,(H,18,22,26)(H,19,23,27)
InChIKeyDUVCUUKYQRZLSN-UHFFFAOYSA-N
XLogP-1.55
TPSA163.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-4-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 3264783
5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 112599316
6-hydroxy-5-[(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 126106382
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 7696198
5-[(6-hydroxy-1-naphthalen-1-yl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
CID 5228227
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
CID 54703490
6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
CID 135703589
1-(2-ethoxyphenyl)-5-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]-pyridin-2-ylmethyl]-6-hydroxypyrimidine-2,4-dione
CID 124530437
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
5-[(4-bromophenyl)-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 2920643
4-methyl-3-pyridin-4-yl-1H-1,2,4-triazol-5-one
CID 3088268
1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione
CID 121206672

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione (CID 3339869) is 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione is Cn1c(O)c(C(c2ccncc2)c2c(O)n(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is DUVCUUKYQRZLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O6/c1-20-13(24)9(11(22)18-15(20)26)8(7-3-5-17-6-4-7)10-12(23)19-16(27)21(2)14(10)25/h3-6,8,24-25H,1-2H3,(H,18,22,26)(H,19,23,27).
What are the key properties of 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione?
6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 373.33 g/mol, XLogP of -1.55, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3339869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).