cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine

C11H15F3N4 — CID 125479337

IUPACcis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine
SMILESC[C@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@@H]1N
InChIInChI=1S/C11H15F3N4/c1-10(4-2-3-8(10)15)18-9-16-5-7(6-17-9)11(12,13)14/h5-6,8H,2-4,15H2,1H3,(H,16,17,18)/t8-,10-/m0/s1
InChIKeySZJNKKUDYWPWKO-WPRPVWTQSA-N
MW260.26 g/mol
LogP2.18
Rot. Bonds2

About cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine

cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine (PubChem CID 125479337) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine
PubChem CID125479337
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Namecis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine
SMILESC[C@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@@H]1N
InChIInChI=1S/C11H15F3N4/c1-10(4-2-3-8(10)15)18-9-16-5-7(6-17-9)11(12,13)14/h5-6,8H,2-4,15H2,1H3,(H,16,17,18)/t8-,10-/m0/s1
InChIKeySZJNKKUDYWPWKO-WPRPVWTQSA-N
XLogP2.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine?
The IUPAC name of cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine (CID 125479337) is cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine.
What is the SMILES notation for cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine?
The canonical SMILES for cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine is C[C@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@@H]1N.
What is the InChIKey of cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine?
The InChIKey is SZJNKKUDYWPWKO-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-10(4-2-3-8(10)15)18-9-16-5-7(6-17-9)11(12,13)14/h5-6,8H,2-4,15H2,1H3,(H,16,17,18)/t8-,10-/m0/s1.
What are the key properties of cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine?
cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine has a molecular weight of 260.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-methyl-1-N-[5-(trifluoromethyl)pyrimidin-2-yl]cyclopentane-1,2-diamine is sourced from PubChem (CID 125479337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).