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

C19H24F3N5O — CID 56741491

IUPAC1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(C)c1cc(NCc2cccnc2N2CCCC(O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C19H24F3N5O/c1-12(2)15-9-16(26-18(25-15)19(20,21)22)24-10-13-5-3-7-23-17(13)27-8-4-6-14(28)11-27/h3,5,7,9,12,14,28H,4,6,8,10-11H2,1-2H3,(H,24,25,26)
InChIKeyRLNJIRBYSJTSOM-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.59
Rot. Bonds5

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

1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 56741491) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol
PubChem CID56741491
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(C)c1cc(NCc2cccnc2N2CCCC(O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C19H24F3N5O/c1-12(2)15-9-16(26-18(25-15)19(20,21)22)24-10-13-5-3-7-23-17(13)27-8-4-6-14(28)11-27/h3,5,7,9,12,14,28H,4,6,8,10-11H2,1-2H3,(H,24,25,26)
InChIKeyRLNJIRBYSJTSOM-UHFFFAOYSA-N
XLogP3.59
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

Enasidenib
CID 89683805
Buparlisib
CID 16654980
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CID 10802
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
CID 10803
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
VPS34 inhibitor 1
CID 67983918
Trans-4-{[2-(Butylamino)-5-(Pyridin-2-Yl)pyrimidin-4-Yl]amino}cyclohexanol
CID 71819732
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 72793042
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
4-[[2-(Butylamino)-5-[5-[(cyclohexylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792907
4-[[2-(Butylamino)-5-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792909

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol (CID 56741491) is 1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol is CC(C)c1cc(NCc2cccnc2N2CCCC(O)C2)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is RLNJIRBYSJTSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-12(2)15-9-16(26-18(25-15)19(20,21)22)24-10-13-5-3-7-23-17(13)27-8-4-6-14(28)11-27/h3,5,7,9,12,14,28H,4,6,8,10-11H2,1-2H3,(H,24,25,26).
What are the key properties of 1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol?
1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 395.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 56741491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).