4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde

C7H5F3N2O2 — CID 83882637

IUPAC4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde
SMILESCOc1cc(C(F)(F)F)nc(C=O)n1
InChIInChI=1S/C7H5F3N2O2/c1-14-6-2-4(7(8,9)10)11-5(3-13)12-6/h2-3H,1H3
InChIKeyQVZUCRJVNVRYRZ-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.32
Rot. Bonds2

About 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde

4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde (PubChem CID 83882637) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde
PubChem CID83882637
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde
SMILESCOc1cc(C(F)(F)F)nc(C=O)n1
InChIInChI=1S/C7H5F3N2O2/c1-14-6-2-4(7(8,9)10)11-5(3-13)12-6/h2-3H,1H3
InChIKeyQVZUCRJVNVRYRZ-UHFFFAOYSA-N
XLogP1.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde
CID 83874840
4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine
CID 118704153
6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134680043
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134620759
1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine
CID 82666594
2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704434
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
N-(1,1-dioxothian-4-yl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 154783261
(2S)-1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-2-methylpiperidin-3-one
CID 164641655
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-prop-2-enylthiourea
CID 100780548
1-methoxy-3-(trifluoromethyl)pyrazole-5-carbaldehyde
CID 174914318

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde?
The IUPAC name of 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde (CID 83882637) is 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde is COc1cc(C(F)(F)F)nc(C=O)n1.
What is the InChIKey of 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde?
The InChIKey is QVZUCRJVNVRYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-14-6-2-4(7(8,9)10)11-5(3-13)12-6/h2-3H,1H3.
What are the key properties of 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde?
4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde has a molecular weight of 206.12 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde is sourced from PubChem (CID 83882637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).