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

C18H27F3N4O2 — CID 129007944

IUPAC1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)C1OCCCC1Nc1cc(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)
InChIKeyHPMOADCQDLVBFL-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.99
Rot. Bonds4

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

1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 129007944) has the molecular formula C18H27F3N4O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID129007944
Molecular FormulaC18H27F3N4O2
Molecular Weight388.43 g/mol
Exact Mass388.21
IUPAC Name1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)C1OCCCC1Nc1cc(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)
InChIKeyHPMOADCQDLVBFL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol (CID 129007944) is 1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol is CC(C)C1OCCCC1Nc1cc(N2CCC(O)(C(F)(F)F)CC2)ncn1.
What is the InChIKey of 1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is HPMOADCQDLVBFL-UHFFFAOYSA-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).
What are the key properties of 1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol?
1-[6-[(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-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 129007944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).