N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

C18H21F4N5 — CID 166604813

IUPACN-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ccnc(C(F)(F)F)c3)CC2)nc(C)n1
InChIInChI=1S/C18H21F4N5/c1-12-9-16(26-13(2)25-12)24-11-17(19)4-7-27(8-5-17)14-3-6-23-15(10-14)18(20,21)22/h3,6,9-10H,4-5,7-8,11H2,1-2H3,(H,24,25,26)
InChIKeyRTOHTUUOMMSTCF-UHFFFAOYSA-N
MW383.39 g/mol
LogP3.93
Rot. Bonds4

About N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 166604813) has the molecular formula C18H21F4N5 and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID166604813
Molecular FormulaC18H21F4N5
Molecular Weight383.39 g/mol
Exact Mass383.17
IUPAC NameN-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ccnc(C(F)(F)F)c3)CC2)nc(C)n1
InChIInChI=1S/C18H21F4N5/c1-12-9-16(26-13(2)25-12)24-11-17(19)4-7-27(8-5-17)14-3-6-23-15(10-14)18(20,21)22/h3,6,9-10H,4-5,7-8,11H2,1-2H3,(H,24,25,26)
InChIKeyRTOHTUUOMMSTCF-UHFFFAOYSA-N
XLogP3.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

Enasidenib
CID 89683805
Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Amprolium ion
CID 2178
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
US10450297, Example 50
CID 57584772
Pik-iii
CID 67983123
N-(4-tert-butylphenyl)-2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 24783142

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (CID 166604813) is N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCC2(F)CCN(c3ccnc(C(F)(F)F)c3)CC2)nc(C)n1.
What is the InChIKey of N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is RTOHTUUOMMSTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N5/c1-12-9-16(26-13(2)25-12)24-11-17(19)4-7-27(8-5-17)14-3-6-23-15(10-14)18(20,21)22/h3,6,9-10H,4-5,7-8,11H2,1-2H3,(H,24,25,26).
What are the key properties of N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 383.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 166604813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).