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

C19H25FN6O2 — CID 165385555

IUPAC2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile
SMILESCc1c(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cnn1C(C)(C)C#N
InChIInChI=1S/C19H25FN6O2/c1-12-16(9-23-26(12)19(2,3)11-21)24-18-22-8-15(20)17(25-18)28-10-13-4-6-14(27)7-5-13/h8-9,13-14,27H,4-7,10H2,1-3H3,(H,22,24,25)
InChIKeyKCIOHLLKRWBXMX-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.05
Rot. Bonds6

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

2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 165385555) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile
PubChem CID165385555
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile
SMILESCc1c(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cnn1C(C)(C)C#N
InChIInChI=1S/C19H25FN6O2/c1-12-16(9-23-26(12)19(2,3)11-21)24-18-22-8-15(20)17(25-18)28-10-13-4-6-14(27)7-5-13/h8-9,13-14,27H,4-7,10H2,1-3H3,(H,22,24,25)
InChIKeyKCIOHLLKRWBXMX-UHFFFAOYSA-N
XLogP3.05
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile with MolForge

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Related Compounds

US11578061, Example 217
CID 165385515
US11578061, Example 43
CID 165385516
US11578061, Example 157
CID 165385520
US11578061, Example 220
CID 165385530
US11578061, Example 194
CID 165385531
US11578061, Example 262
CID 165385533
US11578061, Example 233
CID 165385534
US11578061, Example 216
CID 165385536
US11578061, Example 236
CID 165385539
US11578061, Example 218
CID 165385553
US11578061, Example 263
CID 165385554
US11578061, Example 230
CID 165385560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile (CID 165385555) is 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile is Cc1c(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cnn1C(C)(C)C#N.
What is the InChIKey of 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is KCIOHLLKRWBXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c1-12-16(9-23-26(12)19(2,3)11-21)24-18-22-8-15(20)17(25-18)28-10-13-4-6-14(27)7-5-13/h8-9,13-14,27H,4-7,10H2,1-3H3,(H,22,24,25).
What are the key properties of 2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile?
2-[4-[[5-fluoro-4-[(4-hydroxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 388.45 g/mol, XLogP of 3.05, 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]-5-methylpyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 165385555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).