N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide

C6H8N4O2 — CID 174553679

IUPACN'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide
SMILESCc1nc(O)c(/N=C/N)c(=O)[nH]1
InChIInChI=1S/C6H8N4O2/c1-3-9-5(11)4(8-2-7)6(12)10-3/h2H,1H3,(H2,7,8)(H2,9,10,11,12)
InChIKeyZJSRAQKJLXZXRR-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.60
Rot. Bonds1

About N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide

N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide (PubChem CID 174553679) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide.

Molecular Properties

Compound NameN'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide
PubChem CID174553679
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC NameN'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide
SMILESCc1nc(O)c(/N=C/N)c(=O)[nH]1
InChIInChI=1S/C6H8N4O2/c1-3-9-5(11)4(8-2-7)6(12)10-3/h2H,1H3,(H2,7,8)(H2,9,10,11,12)
InChIKeyZJSRAQKJLXZXRR-UHFFFAOYSA-N
XLogP-0.60
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide?
The IUPAC name of N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide (CID 174553679) is N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide.
What is the SMILES notation for N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide?
The canonical SMILES for N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide is Cc1nc(O)c(/N=C/N)c(=O)[nH]1.
What is the InChIKey of N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide?
The InChIKey is ZJSRAQKJLXZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-3-9-5(11)4(8-2-7)6(12)10-3/h2H,1H3,(H2,7,8)(H2,9,10,11,12).
What are the key properties of N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide?
N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide has a molecular weight of 168.16 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methanimidamide is sourced from PubChem (CID 174553679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).