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

C10H16N2 — CID 70621009

IUPAC6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESC=C(C)C1=NCCC(C=CC)N1
InChIInChI=1S/C10H16N2/c1-4-5-9-6-7-11-10(12-9)8(2)3/h4-5,9H,2,6-7H2,1,3H3,(H,11,12)
InChIKeyUWSADISFLOEQEP-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds2

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

6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine (PubChem CID 70621009) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
PubChem CID70621009
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESC=C(C)C1=NCCC(C=CC)N1
InChIInChI=1S/C10H16N2/c1-4-5-9-6-7-11-10(12-9)8(2)3/h4-5,9H,2,6-7H2,1,3H3,(H,11,12)
InChIKeyUWSADISFLOEQEP-UHFFFAOYSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-4-N-(5-methyl-2,3-dihydropyridin-6-yl)pentane-2,4-diamine
CID 148873990
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
6-Prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid
CID 70621008
6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 91085484
5-Methyl-6-(methylaminomethyl)-6,8a-dihydroquinazoline-2,4-diamine
CID 91375004
4-(1-But-2-ynyl-4-methyl-4,5-dihydroimidazol-2-yl)-1,2,3,6-tetrahydropyridine
CID 91582959
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 121450918
N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 121451327
2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 123201696
N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide
CID 123507286

Frequently Asked Questions

What is the IUPAC name of 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine (CID 70621009) is 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine is C=C(C)C1=NCCC(C=CC)N1.
What is the InChIKey of 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is UWSADISFLOEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-5-9-6-7-11-10(12-9)8(2)3/h4-5,9H,2,6-7H2,1,3H3,(H,11,12).
What are the key properties of 6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
6-prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 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 is sourced from PubChem (CID 70621009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).