4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine

C9H9F3N2 — CID 58549929

IUPAC4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine
SMILESC=CCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2/c1-3-4-8-13-6(2)5-7(14-8)9(10,11)12/h3,5H,1,4H2,2H3
InChIKeyPKBNGMKIVLCWHN-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.53
Rot. Bonds2

About 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine

4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine (PubChem CID 58549929) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine
PubChem CID58549929
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine
SMILESC=CCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2/c1-3-4-8-13-6(2)5-7(14-8)9(10,11)12/h3,5H,1,4H2,2H3
InChIKeyPKBNGMKIVLCWHN-UHFFFAOYSA-N
XLogP2.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.53
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-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 59096535
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide
CID 131892619
2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine
CID 122595292
2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 135265136
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 4775785
4,5,6-trimethyl-2-prop-2-enylpyrimidine
CID 174547893
4-methyl-2-[[4-(2-phenylethyl)triazol-1-yl]methyl]-6-(trifluoromethyl)pyrimidine
CID 56712768
2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde
CID 87170202
N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine
CID 142147294
2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
CID 144837780
N,2-dimethyl-6-(trifluoromethyl)pyridin-4-amine
CID 82404221
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine (CID 58549929) is 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine is C=CCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is PKBNGMKIVLCWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-3-4-8-13-6(2)5-7(14-8)9(10,11)12/h3,5H,1,4H2,2H3.
What are the key properties of 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine?
4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 202.18 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58549929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).