(2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile

C12H12F3N3 — CID 129409389

IUPAC(2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile
SMILESC[C@@](C#N)(CC1CC1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C12H12F3N3/c1-11(7-16,4-8-2-3-8)9-5-17-10(18-6-9)12(13,14)15/h5-6,8H,2-4H2,1H3/t11-/m0/s1
InChIKeyOUEWXBGUUXBDHW-NSHDSACASA-N
MW255.24 g/mol
LogP3.08
Rot. Bonds3

About (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile

(2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile (PubChem CID 129409389) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile
PubChem CID129409389
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name(2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile
SMILESC[C@@](C#N)(CC1CC1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C12H12F3N3/c1-11(7-16,4-8-2-3-8)9-5-17-10(18-6-9)12(13,14)15/h5-6,8H,2-4H2,1H3/t11-/m0/s1
InChIKeyOUEWXBGUUXBDHW-NSHDSACASA-N
XLogP3.08
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile?
The IUPAC name of (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile (CID 129409389) is (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile.
What is the SMILES notation for (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile?
The canonical SMILES for (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile is C[C@@](C#N)(CC1CC1)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile?
The InChIKey is OUEWXBGUUXBDHW-NSHDSACASA-N. The full InChI is InChI=1S/C12H12F3N3/c1-11(7-16,4-8-2-3-8)9-5-17-10(18-6-9)12(13,14)15/h5-6,8H,2-4H2,1H3/t11-/m0/s1.
What are the key properties of (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile?
(2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile has a molecular weight of 255.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propanenitrile is sourced from PubChem (CID 129409389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).