2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile

C18H23FN6O2 — CID 165385562

IUPAC2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)n1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C18H23FN6O2/c1-18(2,11-20)25-9-13(7-22-25)23-17-21-8-15(19)16(24-17)27-10-12-3-5-14(26)6-4-12/h7-9,12,14,26H,3-6,10H2,1-2H3,(H,21,23,24)
InChIKeyBOWKCJHUJQLEIG-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.74
Rot. Bonds6

About 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile

2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 165385562) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile
PubChem CID165385562
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)n1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C18H23FN6O2/c1-18(2,11-20)25-9-13(7-22-25)23-17-21-8-15(19)16(24-17)27-10-12-3-5-14(26)6-4-12/h7-9,12,14,26H,3-6,10H2,1-2H3,(H,21,23,24)
InChIKeyBOWKCJHUJQLEIG-UHFFFAOYSA-N
XLogP2.74
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile (CID 165385562) is 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile is CC(C)(C#N)n1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1.
What is the InChIKey of 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is BOWKCJHUJQLEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O2/c1-18(2,11-20)25-9-13(7-22-25)23-17-21-8-15(19)16(24-17)27-10-12-3-5-14(26)6-4-12/h7-9,12,14,26H,3-6,10H2,1-2H3,(H,21,23,24).
What are the key properties of 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile?
2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 374.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 165385562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).