N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C18H21F3N4 — CID 175662742

IUPACN,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c(C2CCNCC2)n1
InChIInChI=1S/C18H21F3N4/c1-25(2)17-23-11-15(16(24-17)13-7-9-22-10-8-13)12-3-5-14(6-4-12)18(19,20)21/h3-6,11,13,22H,7-10H2,1-2H3
InChIKeyRNZYORPUICAHMV-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.70
Rot. Bonds3

About N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 175662742) has the molecular formula C18H21F3N4 and a molecular weight of 350.39 g/mol. Its IUPAC name is N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID175662742
Molecular FormulaC18H21F3N4
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC NameN,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c(C2CCNCC2)n1
InChIInChI=1S/C18H21F3N4/c1-25(2)17-23-11-15(16(24-17)13-7-9-22-10-8-13)12-3-5-14(6-4-12)18(19,20)21/h3-6,11,13,22H,7-10H2,1-2H3
InChIKeyRNZYORPUICAHMV-UHFFFAOYSA-N
XLogP3.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 175662742) is N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c(C2CCNCC2)n1.
What is the InChIKey of N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is RNZYORPUICAHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4/c1-25(2)17-23-11-15(16(24-17)13-7-9-22-10-8-13)12-3-5-14(6-4-12)18(19,20)21/h3-6,11,13,22H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 350.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 175662742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).