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

C18H24F2N6O2 — CID 139300554

IUPAC[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C18H24F2N6O2/c19-18(20)4-1-13(2-5-18)21-15-11-16(25-7-9-28-10-8-25)23-17(22-15)26-6-3-14(12-27)24-26/h3,6,11,13,27H,1-2,4-5,7-10,12H2,(H,21,22,23)
InChIKeyGEZCRORPPFADBS-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.98
Rot. Bonds5

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

[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol (PubChem CID 139300554) has the molecular formula C18H24F2N6O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol
PubChem CID139300554
Molecular FormulaC18H24F2N6O2
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC Name[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C18H24F2N6O2/c19-18(20)4-1-13(2-5-18)21-15-11-16(25-7-9-28-10-8-25)23-17(22-15)26-6-3-14(12-27)24-26/h3,6,11,13,27H,1-2,4-5,7-10,12H2,(H,21,22,23)
InChIKeyGEZCRORPPFADBS-UHFFFAOYSA-N
XLogP1.98
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.98
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]pyrazol-3-yl]methanol?
The IUPAC name of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol (CID 139300554) is [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol is OCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1.
What is the InChIKey of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol?
The InChIKey is GEZCRORPPFADBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N6O2/c19-18(20)4-1-13(2-5-18)21-15-11-16(25-7-9-28-10-8-25)23-17(22-15)26-6-3-14(12-27)24-26/h3,6,11,13,27H,1-2,4-5,7-10,12H2,(H,21,22,23).
What are the key properties of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol?
[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol has a molecular weight of 394.43 g/mol, XLogP of 1.98, 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]pyrazol-3-yl]methanol is sourced from PubChem (CID 139300554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).