6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid

C10H18N2O4S — CID 70621008

IUPAC6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid
SMILESC=C(C)C1=NCCC(C=CC)N1.O=S(=O)(O)O
InChIInChI=1S/C10H16N2.H2O4S/c1-4-5-9-6-7-11-10(12-9)8(2)3;1-5(2,3)4/h4-5,9H,2,6-7H2,1,3H3,(H,11,12);(H2,1,2,3,4)
InChIKeySNWLXJLIIVESFH-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.25
Rot. Bonds2

About 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid

6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid (PubChem CID 70621008) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid.

Molecular Properties

Compound Name6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid
PubChem CID70621008
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid
SMILESC=C(C)C1=NCCC(C=CC)N1.O=S(=O)(O)O
InChIInChI=1S/C10H16N2.H2O4S/c1-4-5-9-6-7-11-10(12-9)8(2)3;1-5(2,3)4/h4-5,9H,2,6-7H2,1,3H3,(H,11,12);(H2,1,2,3,4)
InChIKeySNWLXJLIIVESFH-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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Frequently Asked Questions

What is the IUPAC name of 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid?
The IUPAC name of 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid (CID 70621008) is 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid.
What is the SMILES notation for 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid?
The canonical SMILES for 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid is C=C(C)C1=NCCC(C=CC)N1.O=S(=O)(O)O.
What is the InChIKey of 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid?
The InChIKey is SNWLXJLIIVESFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.H2O4S/c1-4-5-9-6-7-11-10(12-9)8(2)3;1-5(2,3)4/h4-5,9H,2,6-7H2,1,3H3,(H,11,12);(H2,1,2,3,4).
What are the key properties of 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid?
6-prop-1-enyl-2-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 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid is sourced from PubChem (CID 70621008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).