1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol

C18H27F3N4O2 — CID 129334771

IUPAC1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC(O)(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C18H27F3N4O2/c1-12(2)16-13(4-3-9-27-16)24-14-10-15(23-11-22-14)25-7-5-17(26,6-8-25)18(19,20)21/h10-13,16,26H,3-9H2,1-2H3,(H,22,23,24)/t13-,16+/m1/s1
InChIKeyHPMOADCQDLVBFL-CJNGLKHVSA-N
MW388.43 g/mol
LogP2.99
Rot. Bonds4

About 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol

1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 129334771) has the molecular formula C18H27F3N4O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID129334771
Molecular FormulaC18H27F3N4O2
Molecular Weight388.43 g/mol
Exact Mass388.21
IUPAC Name1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC(O)(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C18H27F3N4O2/c1-12(2)16-13(4-3-9-27-16)24-14-10-15(23-11-22-14)25-7-5-17(26,6-8-25)18(19,20)21/h10-13,16,26H,3-9H2,1-2H3,(H,22,23,24)/t13-,16+/m1/s1
InChIKeyHPMOADCQDLVBFL-CJNGLKHVSA-N
XLogP2.99
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine
CID 128992298
3-[[[6-(Oxan-3-ylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 128998857
N-[1-(3,3-difluorocyclobutyl)ethyl]-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine
CID 132322001
1-[6-[[1-(2-Methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 138033421
(3S,4S)-4-[[[6-[[(3R)-6,6-dimethyloxan-3-yl]methyl-ethylamino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-3-ol
CID 156872251
N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methyl-6-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine;hydrochloride
CID 176387489
(2R,3R,4R,5S)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]-5-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 177015175
4-[(4-{[6-(Trifluoromethyl)pyrimidin-4-yl]amino}piperidin-1-yl)methyl]oxan-4-ol
CID 126889881
[1-[6-[(3,3-Difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 127597675
N-cyclopropyl-6-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrimidin-4-amine
CID 128728206
1-[6-[(2-Propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129000598
1-[6-[(2-Propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 129007944

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol (CID 129334771) is 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol is CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC(O)(C(F)(F)F)CC2)ncn1.
What is the InChIKey of 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is HPMOADCQDLVBFL-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H27F3N4O2/c1-12(2)16-13(4-3-9-27-16)24-14-10-15(23-11-22-14)25-7-5-17(26,6-8-25)18(19,20)21/h10-13,16,26H,3-9H2,1-2H3,(H,22,23,24)/t13-,16+/m1/s1.
What are the key properties of 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol?
1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 388.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 129334771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).