5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine

C14H20F3N3 — CID 70660452

IUPAC5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)CC(c2cnc(N)nc2C(F)(F)F)CC1(C)C
InChIInChI=1S/C14H20F3N3/c1-12(2)5-8(6-13(12,3)4)9-7-19-11(18)20-10(9)14(15,16)17/h7-8H,5-6H2,1-4H3,(H2,18,19,20)
InChIKeySMCITSZAPNIHMU-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.01
Rot. Bonds1

About 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine

5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 70660452) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID70660452
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)CC(c2cnc(N)nc2C(F)(F)F)CC1(C)C
InChIInChI=1S/C14H20F3N3/c1-12(2)5-8(6-13(12,3)4)9-7-19-11(18)20-10(9)14(15,16)17/h7-8H,5-6H2,1-4H3,(H2,18,19,20)
InChIKeySMCITSZAPNIHMU-UHFFFAOYSA-N
XLogP4.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 70660452) is 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine is CC1(C)CC(c2cnc(N)nc2C(F)(F)F)CC1(C)C.
What is the InChIKey of 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SMCITSZAPNIHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-12(2)5-8(6-13(12,3)4)9-7-19-11(18)20-10(9)14(15,16)17/h7-8H,5-6H2,1-4H3,(H2,18,19,20).
What are the key properties of 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,4,4-tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 70660452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).