5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide

C16H17N3O4 — CID 118574714

IUPAC5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC1CCc2ccccc2C1)c1[nH]c(=O)[nH]c(=O)c1O
InChIInChI=1S/C16H17N3O4/c20-13-12(18-16(23)19-15(13)22)14(21)17-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,9,20H,5-8H2,(H,17,21)(H2,18,19,22,23)
InChIKeyAIARPEBPTFFPRV-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.30
Rot. Bonds3

About 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide

5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide (PubChem CID 118574714) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide
PubChem CID118574714
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC1CCc2ccccc2C1)c1[nH]c(=O)[nH]c(=O)c1O
InChIInChI=1S/C16H17N3O4/c20-13-12(18-16(23)19-15(13)22)14(21)17-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,9,20H,5-8H2,(H,17,21)(H2,18,19,22,23)
InChIKeyAIARPEBPTFFPRV-UHFFFAOYSA-N
XLogP0.30
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide (CID 118574714) is 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide is O=C(NCC1CCc2ccccc2C1)c1[nH]c(=O)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is AIARPEBPTFFPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-13-12(18-16(23)19-15(13)22)14(21)17-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,9,20H,5-8H2,(H,17,21)(H2,18,19,22,23).
What are the key properties of 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide?
5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118574714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).