2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid

C10H18N2O4S — CID 22756051

IUPAC2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid
SMILESC=C(C)C1=NCCC(C(=C)C)N1.O=S(=O)(O)O
InChIInChI=1S/C10H16N2.H2O4S/c1-7(2)9-5-6-11-10(12-9)8(3)4;1-5(2,3)4/h9H,1,3,5-6H2,2,4H3,(H,11,12);(H2,1,2,3,4)
InChIKeyLPMMWICUUOYNHZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.25
Rot. Bonds2

About 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid

2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid (PubChem CID 22756051) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid.

Molecular Properties

Compound Name2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid
PubChem CID22756051
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid
SMILESC=C(C)C1=NCCC(C(=C)C)N1.O=S(=O)(O)O
InChIInChI=1S/C10H16N2.H2O4S/c1-7(2)9-5-6-11-10(12-9)8(3)4;1-5(2,3)4/h9H,1,3,5-6H2,2,4H3,(H,11,12);(H2,1,2,3,4)
InChIKeyLPMMWICUUOYNHZ-UHFFFAOYSA-N
XLogP1.25
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 70621007
CID 70621007
CID 70621008
CID 70621008
CID 22756052
CID 22756052

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid?
The IUPAC name of 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid (CID 22756051) is 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid.
What is the SMILES notation for 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid?
The canonical SMILES for 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid is C=C(C)C1=NCCC(C(=C)C)N1.O=S(=O)(O)O.
What is the InChIKey of 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid?
The InChIKey is LPMMWICUUOYNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.H2O4S/c1-7(2)9-5-6-11-10(12-9)8(3)4;1-5(2,3)4/h9H,1,3,5-6H2,2,4H3,(H,11,12);(H2,1,2,3,4).
What are the key properties of 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid?
2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid has a molecular weight of 262.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid is sourced from PubChem (CID 22756051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).