1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol

C22H21F3N4O2 — CID 3654911

IUPAC1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1nc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C22H21F3N4O2/c1-14-27-20(11-21(28-14)29-8-6-18(30)7-9-29)17-10-16(12-26-13-17)15-2-4-19(5-3-15)31-22(23,24)25/h2-5,10-13,18,30H,6-9H2,1H3
InChIKeyALNQGEZLPOSZFA-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.37
Rot. Bonds4

About 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol

1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 3654911) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID3654911
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1nc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C22H21F3N4O2/c1-14-27-20(11-21(28-14)29-8-6-18(30)7-9-29)17-10-16(12-26-13-17)15-2-4-19(5-3-15)31-22(23,24)25/h2-5,10-13,18,30H,6-9H2,1H3
InChIKeyALNQGEZLPOSZFA-UHFFFAOYSA-N
XLogP4.37
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
6-Ethyl-5-[3-(2-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 118753247
6-Ethyl-5-[3-[2-methoxy-5-(1-oxidopyridin-1-ium-4-yl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine
CID 118753249
6-Ethyl-5-{(3r)-3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]but-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 56955942
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
3-{[4-(2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]amino}pyrimidin-4-yl)pyridin-2-yl]amino}propan-1-ol
CID 19967010
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
4-(5-Methoxy-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133127
(S)-6-Chloro-5-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-2-(pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11397947

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol (CID 3654911) is 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol is Cc1nc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is ALNQGEZLPOSZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-14-27-20(11-21(28-14)29-8-6-18(30)7-9-29)17-10-16(12-26-13-17)15-2-4-19(5-3-15)31-22(23,24)25/h2-5,10-13,18,30H,6-9H2,1H3.
What are the key properties of 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol?
1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 430.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 3654911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).