4,5,6-trimethyl-2-prop-2-enylpyrimidine

C10H14N2 — CID 174547893

IUPAC4,5,6-trimethyl-2-prop-2-enylpyrimidine
SMILESC=CCc1nc(C)c(C)c(C)n1
InChIInChI=1S/C10H14N2/c1-5-6-10-11-8(3)7(2)9(4)12-10/h5H,1,6H2,2-4H3
InChIKeyBNINWFMJYADJSM-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.13
Rot. Bonds2

About 4,5,6-trimethyl-2-prop-2-enylpyrimidine

4,5,6-trimethyl-2-prop-2-enylpyrimidine (PubChem CID 174547893) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-prop-2-enylpyrimidine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-prop-2-enylpyrimidine
PubChem CID174547893
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4,5,6-trimethyl-2-prop-2-enylpyrimidine
SMILESC=CCc1nc(C)c(C)c(C)n1
InChIInChI=1S/C10H14N2/c1-5-6-10-11-8(3)7(2)9(4)12-10/h5H,1,6H2,2-4H3
InChIKeyBNINWFMJYADJSM-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine
CID 122595292
4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine
CID 134857303
4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine
CID 58549929
2-(4,5,6-trimethylpyrimidin-2-yl)ethanol
CID 105433107
N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine
CID 67889889
2-prop-2-enylpyrimidine
CID 20526273
3-ethenyl-2,4,5,6-tetramethylpyridine
CID 170004195
N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 175096673
5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one
CID 70353542
2-[(3-cyano-4,6-dimethyl-5-prop-2-enyl-2-pyridinyl)disulfanyl]-4,6-dimethyl-5-prop-2-enylpyridine-3-carbonitrile
CID 170458751
4-ethenyl-2,5,6-trimethylpyrimidine
CID 145409646
4-amino-2-prop-2-enylpyrimidine-5-carbaldehyde
CID 88651356

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-prop-2-enylpyrimidine?
The IUPAC name of 4,5,6-trimethyl-2-prop-2-enylpyrimidine (CID 174547893) is 4,5,6-trimethyl-2-prop-2-enylpyrimidine.
What is the SMILES notation for 4,5,6-trimethyl-2-prop-2-enylpyrimidine?
The canonical SMILES for 4,5,6-trimethyl-2-prop-2-enylpyrimidine is C=CCc1nc(C)c(C)c(C)n1.
What is the InChIKey of 4,5,6-trimethyl-2-prop-2-enylpyrimidine?
The InChIKey is BNINWFMJYADJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-6-10-11-8(3)7(2)9(4)12-10/h5H,1,6H2,2-4H3.
What are the key properties of 4,5,6-trimethyl-2-prop-2-enylpyrimidine?
4,5,6-trimethyl-2-prop-2-enylpyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-prop-2-enylpyrimidine is sourced from PubChem (CID 174547893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).