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

C10H16N2 — CID 22756052

IUPAC2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine
SMILESC=C(C)C1=NCCC(C(=C)C)N1
InChIInChI=1S/C10H16N2/c1-7(2)9-5-6-11-10(12-9)8(3)4/h9H,1,3,5-6H2,2,4H3,(H,11,12)
InChIKeyQQMQCTHHWZPIDG-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds2

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

2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 22756052) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine
PubChem CID22756052
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine
SMILESC=C(C)C1=NCCC(C(=C)C)N1
InChIInChI=1S/C10H16N2/c1-7(2)9-5-6-11-10(12-9)8(3)4/h9H,1,3,5-6H2,2,4H3,(H,11,12)
InChIKeyQQMQCTHHWZPIDG-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

2,6-Bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine;sulfuric acid
CID 22756051
6-Ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 22756056
N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide
CID 88596857
2-methyl-N,N'-di(propan-2-yl)prop-2-enimidamide
CID 88832844
5-methylidene-N-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-6-amine
CID 142943192
ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
CID 143987472
(3Z)-N-methyl-3-propylidenepiperidin-2-imine
CID 147785684
(5Z)-N-ethyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 153562310
ethane;5-methylidene-N-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-6-amine
CID 165133724
N',2-dimethyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166075890
N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide
CID 167009720
4-Ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 54199323

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine (CID 22756052) is 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine is C=C(C)C1=NCCC(C(=C)C)N1.
What is the InChIKey of 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is QQMQCTHHWZPIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)9-5-6-11-10(12-9)8(3)4/h9H,1,3,5-6H2,2,4H3,(H,11,12).
What are the key properties of 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine?
2,6-bis(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 2,6-bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 22756052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).