5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione

C19H14N4O4 — CID 172877229

IUPAC5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(c2ccc3ccccc3c2)c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C19H14N4O4/c24-16-13(8-20-18(26)22-16)15(14-9-21-19(27)23-17(14)25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,15H,(H2,20,22,24,26)(H2,21,23,25,27)
InChIKeyGHPULLBREXPWNB-UHFFFAOYSA-N
MW362.35 g/mol
LogP0.77
Rot. Bonds3

About 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione

5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione (PubChem CID 172877229) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione
PubChem CID172877229
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(c2ccc3ccccc3c2)c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C19H14N4O4/c24-16-13(8-20-18(26)22-16)15(14-9-21-19(27)23-17(14)25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,15H,(H2,20,22,24,26)(H2,21,23,25,27)
InChIKeyGHPULLBREXPWNB-UHFFFAOYSA-N
XLogP0.77
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione (CID 172877229) is 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C(c2ccc3ccccc3c2)c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GHPULLBREXPWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-16-13(8-20-18(26)22-16)15(14-9-21-19(27)23-17(14)25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,15H,(H2,20,22,24,26)(H2,21,23,25,27).
What are the key properties of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione?
5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 362.35 g/mol, XLogP of 0.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-naphthalen-2-ylmethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 172877229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).