4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine

C11H13ClF3N3 — CID 151929544

IUPAC4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine
SMILESNC1CCC(c2ncc(C(F)(F)F)c(Cl)n2)CC1
InChIInChI=1S/C11H13ClF3N3/c12-9-8(11(13,14)15)5-17-10(18-9)6-1-3-7(16)4-2-6/h5-7H,1-4,16H2
InChIKeySYMLJPSMTQYKCR-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.13
Rot. Bonds1

About 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine

4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine (PubChem CID 151929544) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine
PubChem CID151929544
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine
SMILESNC1CCC(c2ncc(C(F)(F)F)c(Cl)n2)CC1
InChIInChI=1S/C11H13ClF3N3/c12-9-8(11(13,14)15)5-17-10(18-9)6-1-3-7(16)4-2-6/h5-7H,1-4,16H2
InChIKeySYMLJPSMTQYKCR-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine (CID 151929544) is 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine is NC1CCC(c2ncc(C(F)(F)F)c(Cl)n2)CC1.
What is the InChIKey of 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine?
The InChIKey is SYMLJPSMTQYKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c12-9-8(11(13,14)15)5-17-10(18-9)6-1-3-7(16)4-2-6/h5-7H,1-4,16H2.
What are the key properties of 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine?
4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine has a molecular weight of 279.69 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 151929544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).