[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol

C19H26F2N6O2 — CID 139319835

IUPAC[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol
SMILESCc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1CO
InChIInChI=1S/C19H26F2N6O2/c1-13-11-27(25-15(13)12-28)18-23-16(22-14-2-4-19(20,21)5-3-14)10-17(24-18)26-6-8-29-9-7-26/h10-11,14,28H,2-9,12H2,1H3,(H,22,23,24)
InChIKeyIQEPIINNTZKCIT-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.29
Rot. Bonds5

About [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol

[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol (PubChem CID 139319835) has the molecular formula C19H26F2N6O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol
PubChem CID139319835
Molecular FormulaC19H26F2N6O2
Molecular Weight408.45 g/mol
Exact Mass408.21
IUPAC Name[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol
SMILESCc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1CO
InChIInChI=1S/C19H26F2N6O2/c1-13-11-27(25-15(13)12-28)18-23-16(22-14-2-4-19(20,21)5-3-14)10-17(24-18)26-6-8-29-9-7-26/h10-11,14,28H,2-9,12H2,1H3,(H,22,23,24)
InChIKeyIQEPIINNTZKCIT-UHFFFAOYSA-N
XLogP2.29
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol?
The IUPAC name of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol (CID 139319835) is [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol?
The canonical SMILES for [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol is Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1CO.
What is the InChIKey of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol?
The InChIKey is IQEPIINNTZKCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N6O2/c1-13-11-27(25-15(13)12-28)18-23-16(22-14-2-4-19(20,21)5-3-14)10-17(24-18)26-6-8-29-9-7-26/h10-11,14,28H,2-9,12H2,1H3,(H,22,23,24).
What are the key properties of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol?
[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol has a molecular weight of 408.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 139319835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).