4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine

C10H16N2 — CID 54199323

IUPAC4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESC=CC1CC(C)NC(C(=C)C)=N1
InChIInChI=1S/C10H16N2/c1-5-9-6-8(4)11-10(12-9)7(2)3/h5,8-9H,1-2,6H2,3-4H3,(H,11,12)
InChIKeyPOBYLXMFUIXSOG-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds2

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

4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine (PubChem CID 54199323) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
PubChem CID54199323
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESC=CC1CC(C)NC(C(=C)C)=N1
InChIInChI=1S/C10H16N2/c1-5-9-6-8(4)11-10(12-9)7(2)3/h5,8-9H,1-2,6H2,3-4H3,(H,11,12)
InChIKeyPOBYLXMFUIXSOG-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
6-Ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 22756056
4-Ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine;sulfuric acid
CID 70621007
N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide
CID 88596857
6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 91085484
N',2-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 130220199
ethane;2-methyl-5-methylidene-N-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-6-amine
CID 141955026
(5Z)-N-ethyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 153562310
(5Z)-N-ethyl-5-prop-2-enylidene-3,4-dihydro-2H-pyridin-6-amine
CID 166838357
2,6-Bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine
CID 22756052
6-Prop-1-enyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 70621009
N-pent-4-en-2-yl-2,3,4,5-tetrahydropyridin-6-amine
CID 116040191

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine (CID 54199323) is 4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine is C=CC1CC(C)NC(C(=C)C)=N1.
What is the InChIKey of 4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is POBYLXMFUIXSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9-6-8(4)11-10(12-9)7(2)3/h5,8-9H,1-2,6H2,3-4H3,(H,11,12).
What are the key properties of 4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
4-ethenyl-6-methyl-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 4-ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 54199323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).