2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine

C9H11F3N2O2 — CID 165402885

IUPAC2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine
SMILESCOc1ncc(CCC(F)(F)F)c(OC)n1
InChIInChI=1S/C9H11F3N2O2/c1-15-7-6(3-4-9(10,11)12)5-13-8(14-7)16-2/h5H,3-4H2,1-2H3
InChIKeyGFHPOYADQOMNNR-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.99
Rot. Bonds4

About 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine

2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 165402885) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID165402885
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine
SMILESCOc1ncc(CCC(F)(F)F)c(OC)n1
InChIInChI=1S/C9H11F3N2O2/c1-15-7-6(3-4-9(10,11)12)5-13-8(14-7)16-2/h5H,3-4H2,1-2H3
InChIKeyGFHPOYADQOMNNR-UHFFFAOYSA-N
XLogP1.99
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethoxy-5-(nonafluorobutyl)pyrimidine
CID 125484246
2-Chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
CID 57396909
2,4-Dimethoxy-5-(3-methylbut-2-enyl)pyrimidine
CID 121222316
2,4-Dimethoxy-5-(trifluoromethyl)pyrimidine
CID 21732778
2,4-Diethoxy-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidine
CID 86220862
3-(2,4-Dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol
CID 146163918
6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 54464103
5-(2-Fluoroethyl)-2,4-dimethoxypyrimidine
CID 91619481
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-2,4-dimethoxypyrimidine
CID 23264522
2-(Difluoromethyl)-5-ethyl-4-methoxypyrimidine
CID 121355359
4-(Oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 130210333
2-Pentoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282353

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine (CID 165402885) is 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine is COc1ncc(CCC(F)(F)F)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is GFHPOYADQOMNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-15-7-6(3-4-9(10,11)12)5-13-8(14-7)16-2/h5H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine?
2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 236.19 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 165402885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).