4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine

C20H25F4N5O — CID 162245406

IUPAC4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cn(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1C(F)F
InChIInChI=1S/C20H25F4N5O/c1-13-12-29(27-17(13)18(21)22)19-25-15(10-14-2-4-20(23,24)5-3-14)11-16(26-19)28-6-8-30-9-7-28/h11-12,14,18H,2-10H2,1H3
InChIKeyZXGQQSAUXGTZGN-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.11
Rot. Bonds5

About 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine

4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 162245406) has the molecular formula C20H25F4N5O and a molecular weight of 427.45 g/mol. Its IUPAC name is 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID162245406
Molecular FormulaC20H25F4N5O
Molecular Weight427.45 g/mol
Exact Mass427.20
IUPAC Name4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cn(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1C(F)F
InChIInChI=1S/C20H25F4N5O/c1-13-12-29(27-17(13)18(21)22)19-25-15(10-14-2-4-20(23,24)5-3-14)11-16(26-19)28-6-8-30-9-7-28/h11-12,14,18H,2-10H2,1H3
InChIKeyZXGQQSAUXGTZGN-UHFFFAOYSA-N
XLogP4.11
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane
CID 144739971
4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine
CID 146929566
tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;ethane
CID 142404556
[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-(4,4-difluorocyclohexyl)carbamic acid
CID 134510602
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 72927726
methyl 2-[[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate
CID 159404534
8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50970181
N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine
CID 139300257
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
CID 135087231
4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine
CID 59292396
ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248
methyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]oxyazetidine-1-carboxylate;methyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-formyl-4-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;methyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(hydroxymethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]oxyazetidine-1-carboxylate
CID 158791506

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine (CID 162245406) is 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine is Cc1cn(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1C(F)F.
What is the InChIKey of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is ZXGQQSAUXGTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F4N5O/c1-13-12-29(27-17(13)18(21)22)19-25-15(10-14-2-4-20(23,24)5-3-14)11-16(26-19)28-6-8-30-9-7-28/h11-12,14,18H,2-10H2,1H3.
What are the key properties of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 427.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 162245406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).