5-methanehydrazonoyl-1H-pyrimidine-2,4-dione

C5H6N4O2 — CID 137221150

IUPAC5-methanehydrazonoyl-1H-pyrimidine-2,4-dione
SMILESNN=Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N4O2/c6-8-2-3-1-7-5(11)9-4(3)10/h1-2H,6H2,(H2,7,9,10,11)
InChIKeyLUJGASZYPCMRIB-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.64
Rot. Bonds1

About 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione

5-methanehydrazonoyl-1H-pyrimidine-2,4-dione (PubChem CID 137221150) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methanehydrazonoyl-1H-pyrimidine-2,4-dione
PubChem CID137221150
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name5-methanehydrazonoyl-1H-pyrimidine-2,4-dione
SMILESNN=Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N4O2/c6-8-2-3-1-7-5(11)9-4(3)10/h1-2H,6H2,(H2,7,9,10,11)
InChIKeyLUJGASZYPCMRIB-UHFFFAOYSA-N
XLogP-1.64
TPSA104.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]thiourea
CID 135455411
5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione
CID 150870731
5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135603822
5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
CID 14914593
5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione
CID 170484938
CID 135788859
CID 135788859
5-[(Z)-3-oxobut-1-enyl]-1H-pyrimidine-2,4-dione
CID 92527239
5-chloro-1H-pyrimidine-2,4-dione
CID 15758
5-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethynyl]-1H-pyrimidine-2,4-dione
CID 10658057
ethyl (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 54607042
CID 101090583
CID 101090583
2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide
CID 21008159

Frequently Asked Questions

What is the IUPAC name of 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione (CID 137221150) is 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione is NN=Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione?
The InChIKey is LUJGASZYPCMRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-8-2-3-1-7-5(11)9-4(3)10/h1-2H,6H2,(H2,7,9,10,11).
What are the key properties of 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione?
5-methanehydrazonoyl-1H-pyrimidine-2,4-dione has a molecular weight of 154.13 g/mol, XLogP of -1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanehydrazonoyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 137221150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).