methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione

C9H15N3O2 — CID 143758229

IUPACmethane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC.C=CCNc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O2.CH4/c1-3-4-9-6-5-11(2)8(13)10-7(6)12;/h3,5,9H,1,4H2,2H3,(H,10,12,13);1H4
InChIKeyLEETVBPTMRFBDW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.31
Rot. Bonds3

About methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione

methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione (PubChem CID 143758229) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Namemethane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione
PubChem CID143758229
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC.C=CCNc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O2.CH4/c1-3-4-9-6-5-11(2)8(13)10-7(6)12;/h3,5,9H,1,4H2,2H3,(H,10,12,13);1H4
InChIKeyLEETVBPTMRFBDW-UHFFFAOYSA-N
XLogP0.31
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione?
The IUPAC name of methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione (CID 143758229) is methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione.
What is the SMILES notation for methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione?
The canonical SMILES for methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione is C.C=CCNc1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione?
The InChIKey is LEETVBPTMRFBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.CH4/c1-3-4-9-6-5-11(2)8(13)10-7(6)12;/h3,5,9H,1,4H2,2H3,(H,10,12,13);1H4.
What are the key properties of methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione?
methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 143758229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).