2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine

C11H13F3N2 — CID 167340152

IUPAC2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine
SMILESCC(C)[C@H]1C[C@@H]1c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C11H13F3N2/c1-6(2)8-3-9(8)10-15-4-7(5-16-10)11(12,13)14/h4-6,8-9H,3H2,1-2H3/t8-,9+/m1/s1
InChIKeyFHTLWDBOTIZUNR-BDAKNGLRSA-N
MW230.23 g/mol
LogP3.25
Rot. Bonds2

About 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine

2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine (PubChem CID 167340152) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine
PubChem CID167340152
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine
SMILESCC(C)[C@H]1C[C@@H]1c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C11H13F3N2/c1-6(2)8-3-9(8)10-15-4-7(5-16-10)11(12,13)14/h4-6,8-9H,3H2,1-2H3/t8-,9+/m1/s1
InChIKeyFHTLWDBOTIZUNR-BDAKNGLRSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-[(1S,2R)-2-propan-2-ylcyclopropyl]-4-(trifluoromethyl)benzene
CID 167340103
2-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 18342612
6-[(1S,2R)-2-propan-2-ylcyclopropyl]-3-(trifluoromethyl)isoquinoline
CID 167340308
(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 29079331
(1S)-1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 124831457
trimethyl-[[5-(trifluoromethyl)pyrimidin-2-yl]-trimethylsilylmethyl]silane
CID 58835983
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine
CID 167340168
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]carbamate
CID 141462771
2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine
CID 142536166
6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole
CID 167340266
N-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43084333

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine (CID 167340152) is 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine is CC(C)[C@H]1C[C@@H]1c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine?
The InChIKey is FHTLWDBOTIZUNR-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-6(2)8-3-9(8)10-15-4-7(5-16-10)11(12,13)14/h4-6,8-9H,3H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine?
2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine has a molecular weight of 230.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-propan-2-ylcyclopropyl]-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167340152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).