[1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C16H24F3N5O — CID 133371457

IUPAC[1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C16H24F3N5O/c17-16(18,19)10-23-5-3-12(8-23)7-20-14-6-15(22-11-21-14)24-4-1-2-13(24)9-25/h6,11-13,25H,1-5,7-10H2,(H,20,21,22)
InChIKeyLVAWVYNNFSNYQY-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.73
Rot. Bonds6

About [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133371457) has the molecular formula C16H24F3N5O and a molecular weight of 359.40 g/mol. Its IUPAC name is [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133371457
Molecular FormulaC16H24F3N5O
Molecular Weight359.40 g/mol
Exact Mass359.19
IUPAC Name[1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C16H24F3N5O/c17-16(18,19)10-23-5-3-12(8-23)7-20-14-6-15(22-11-21-14)24-4-1-2-13(24)9-25/h6,11-13,25H,1-5,7-10H2,(H,20,21,22)
InChIKeyLVAWVYNNFSNYQY-UHFFFAOYSA-N
XLogP1.73
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133371457) is [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCC2CCN(CC(F)(F)F)C2)ncn1.
What is the InChIKey of [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is LVAWVYNNFSNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O/c17-16(18,19)10-23-5-3-12(8-23)7-20-14-6-15(22-11-21-14)24-4-1-2-13(24)9-25/h6,11-13,25H,1-5,7-10H2,(H,20,21,22).
What are the key properties of [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 359.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133371457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).