2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine

C11H15F3N4 — CID 114632622

IUPAC2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine
SMILESCC1(C)C(N)CC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c1-10(2)6(15)5-8(10)18-9-16-4-3-7(17-9)11(12,13)14/h3-4,6,8H,5,15H2,1-2H3,(H,16,17,18)
InChIKeySFNRVXUNRONZNM-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.03
Rot. Bonds2

About 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine

2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine (PubChem CID 114632622) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine
PubChem CID114632622
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine
SMILESCC1(C)C(N)CC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c1-10(2)6(15)5-8(10)18-9-16-4-3-7(17-9)11(12,13)14/h3-4,6,8H,5,15H2,1-2H3,(H,16,17,18)
InChIKeySFNRVXUNRONZNM-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine (CID 114632622) is 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine is CC1(C)C(N)CC1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine?
The InChIKey is SFNRVXUNRONZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-10(2)6(15)5-8(10)18-9-16-4-3-7(17-9)11(12,13)14/h3-4,6,8H,5,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine?
2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine has a molecular weight of 260.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine is sourced from PubChem (CID 114632622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).