N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide

C11H12N6O3 — CID 135420782

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide
SMILESCc1cc(C)nc(/N=C(\N)c2c(O)[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H12N6O3/c1-4-3-5(2)14-10(13-4)15-7(12)6-8(18)16-11(20)17-9(6)19/h3H,1-2H3,(H2,12,13,14,15)(H3,16,17,18,19,20)
InChIKeyPLXIGZHWLFPFSM-UHFFFAOYSA-N
MW276.26 g/mol
LogP-0.79
Rot. Bonds2

About N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide

N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide (PubChem CID 135420782) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide
PubChem CID135420782
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide
SMILESCc1cc(C)nc(/N=C(\N)c2c(O)[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H12N6O3/c1-4-3-5(2)14-10(13-4)15-7(12)6-8(18)16-11(20)17-9(6)19/h3H,1-2H3,(H2,12,13,14,15)(H3,16,17,18,19,20)
InChIKeyPLXIGZHWLFPFSM-UHFFFAOYSA-N
XLogP-0.79
TPSA150.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide (CID 135420782) is N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide is Cc1cc(C)nc(/N=C(\N)c2c(O)[nH]c(=O)[nH]c2=O)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide?
The InChIKey is PLXIGZHWLFPFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-4-3-5(2)14-10(13-4)15-7(12)6-8(18)16-11(20)17-9(6)19/h3H,1-2H3,(H2,12,13,14,15)(H3,16,17,18,19,20).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide?
N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide has a molecular weight of 276.26 g/mol, XLogP of -0.79, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboximidamide is sourced from PubChem (CID 135420782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).