N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide

C16H14N4O5 — CID 10246747

IUPACN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide
SMILESCn1c(N)c(NC(=O)c2cc(=O)c3ccccc3o2)c(=O)n(C)c1=O
InChIInChI=1S/C16H14N4O5/c1-19-13(17)12(15(23)20(2)16(19)24)18-14(22)11-7-9(21)8-5-3-4-6-10(8)25-11/h3-7H,17H2,1-2H3,(H,18,22)
InChIKeyOBKHPMPCUWEYMO-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.02
Rot. Bonds2

About N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide

N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide (PubChem CID 10246747) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide
PubChem CID10246747
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide
SMILESCn1c(N)c(NC(=O)c2cc(=O)c3ccccc3o2)c(=O)n(C)c1=O
InChIInChI=1S/C16H14N4O5/c1-19-13(17)12(15(23)20(2)16(19)24)18-14(22)11-7-9(21)8-5-3-4-6-10(8)25-11/h3-7H,17H2,1-2H3,(H,18,22)
InChIKeyOBKHPMPCUWEYMO-UHFFFAOYSA-N
XLogP0.02
TPSA129.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide (CID 10246747) is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide is Cn1c(N)c(NC(=O)c2cc(=O)c3ccccc3o2)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide?
The InChIKey is OBKHPMPCUWEYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-19-13(17)12(15(23)20(2)16(19)24)18-14(22)11-7-9(21)8-5-3-4-6-10(8)25-11/h3-7H,17H2,1-2H3,(H,18,22).
What are the key properties of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide?
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide has a molecular weight of 342.31 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 10246747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).