N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide

C19H27F3N6O4 — CID 11178652

IUPACN-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
SMILESCC1CCC(CN(O)C=O)(C(=O)NNc2nc(N3CCOCC3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H27F3N6O4/c1-13-2-4-18(5-3-13,11-28(31)12-29)16(30)25-26-17-23-14(19(20,21)22)10-15(24-17)27-6-8-32-9-7-27/h10,12-13,31H,2-9,11H2,1H3,(H,25,30)(H,23,24,26)
InChIKeyQSCHXHGFBLZGJX-UHFFFAOYSA-N
MW460.46 g/mol
LogP1.82
Rot. Bonds7

About N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide

N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide (PubChem CID 11178652) has the molecular formula C19H27F3N6O4 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
PubChem CID11178652
Molecular FormulaC19H27F3N6O4
Molecular Weight460.46 g/mol
Exact Mass460.20
IUPAC NameN-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
SMILESCC1CCC(CN(O)C=O)(C(=O)NNc2nc(N3CCOCC3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H27F3N6O4/c1-13-2-4-18(5-3-13,11-28(31)12-29)16(30)25-26-17-23-14(19(20,21)22)10-15(24-17)27-6-8-32-9-7-27/h10,12-13,31H,2-9,11H2,1H3,(H,25,30)(H,23,24,26)
InChIKeyQSCHXHGFBLZGJX-UHFFFAOYSA-N
XLogP1.82
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 9981688
N-[(2R)-2-[[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]-6-methylheptyl]-N-hydroxyformamide
CID 10028493
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 10321422
N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10366389
N-hydroxy-N-[(2R)-6-methyl-2-[[[4-piperazin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10457004
N-hydroxy-N-[(2R)-6-methyl-2-[[[4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10457647
N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
CID 11234210
N-[[4,4-dimethyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]-N-hydroxyformamide
CID 11408875
N-{4,4-Dimethyl-1-[N'-(4-trifluoromethyl-pyrimidin-2-yl)-hydrazinocarbonyl]-cyclohexylmethyl}-N-hydroxy-formamide
CID 11749590
N-[2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 85082115
N-[2-[[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]-6-methylheptyl]-N-hydroxyformamide
CID 85096911
N-hydroxy-N-[2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 85122727

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
The IUPAC name of N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide (CID 11178652) is N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide.
What is the SMILES notation for N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
The canonical SMILES for N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide is CC1CCC(CN(O)C=O)(C(=O)NNc2nc(N3CCOCC3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
The InChIKey is QSCHXHGFBLZGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N6O4/c1-13-2-4-18(5-3-13,11-28(31)12-29)16(30)25-26-17-23-14(19(20,21)22)10-15(24-17)27-6-8-32-9-7-27/h10,12-13,31H,2-9,11H2,1H3,(H,25,30)(H,23,24,26).
What are the key properties of N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide has a molecular weight of 460.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[4-methyl-1-[[[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide is sourced from PubChem (CID 11178652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).