2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol

C25H29F3N6O — CID 162545529

IUPAC2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
SMILESCc1nccc(N2CCC(Nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)[C@H](C)C2)n1
InChIInChI=1S/C25H29F3N6O/c1-15-14-34(22-9-11-29-16(2)30-22)12-10-19(15)31-23-32-20(13-21(33-23)24(3,4)35)17-5-7-18(8-6-17)25(26,27)28/h5-9,11,13,15,19,35H,10,12,14H2,1-4H3,(H,31,32,33)/t15-,19?/m1/s1
InChIKeyKUWFILBTGAKUNS-NYRJJRHWSA-N
MW486.54 g/mol
LogP4.82
Rot. Bonds5

About 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol

2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol (PubChem CID 162545529) has the molecular formula C25H29F3N6O and a molecular weight of 486.54 g/mol. Its IUPAC name is 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
PubChem CID162545529
Molecular FormulaC25H29F3N6O
Molecular Weight486.54 g/mol
Exact Mass486.24
IUPAC Name2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
SMILESCc1nccc(N2CCC(Nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)[C@H](C)C2)n1
InChIInChI=1S/C25H29F3N6O/c1-15-14-34(22-9-11-29-16(2)30-22)12-10-19(15)31-23-32-20(13-21(33-23)24(3,4)35)17-5-7-18(8-6-17)25(26,27)28/h5-9,11,13,15,19,35H,10,12,14H2,1-4H3,(H,31,32,33)/t15-,19?/m1/s1
InChIKeyKUWFILBTGAKUNS-NYRJJRHWSA-N
XLogP4.82
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol with MolForge

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Related Compounds

2-[2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
CID 53353427
2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
CID 58398041
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
(3S)-1-[2-(4-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 156866192
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133458800
N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64923601
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133458702

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol (CID 162545529) is 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol is Cc1nccc(N2CCC(Nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)[C@H](C)C2)n1.
What is the InChIKey of 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
The InChIKey is KUWFILBTGAKUNS-NYRJJRHWSA-N. The full InChI is InChI=1S/C25H29F3N6O/c1-15-14-34(22-9-11-29-16(2)30-22)12-10-19(15)31-23-32-20(13-21(33-23)24(3,4)35)17-5-7-18(8-6-17)25(26,27)28/h5-9,11,13,15,19,35H,10,12,14H2,1-4H3,(H,31,32,33)/t15-,19?/m1/s1.
What are the key properties of 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol has a molecular weight of 486.54 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol is sourced from PubChem (CID 162545529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).