N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide

C19H29F3N6O4 — CID 87264020

IUPACN-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide
SMILESCCC(C)(C)CC(CN(O)C=O)C(=O)NNc1ncc(N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C19H29F3N6O4/c1-4-18(2,3)9-13(11-28(31)12-29)16(30)25-26-17-23-10-14(15(24-17)19(20,21)22)27-5-7-32-8-6-27/h10,12-13,31H,4-9,11H2,1-3H3,(H,25,30)(H,23,24,26)
InChIKeyHCDMCDKZEFKZHH-UHFFFAOYSA-N
MW462.47 g/mol
LogP2.07
Rot. Bonds10

About N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide

N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide (PubChem CID 87264020) has the molecular formula C19H29F3N6O4 and a molecular weight of 462.47 g/mol. Its IUPAC name is N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide
PubChem CID87264020
Molecular FormulaC19H29F3N6O4
Molecular Weight462.47 g/mol
Exact Mass462.22
IUPAC NameN-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide
SMILESCCC(C)(C)CC(CN(O)C=O)C(=O)NNc1ncc(N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C19H29F3N6O4/c1-4-18(2,3)9-13(11-28(31)12-29)16(30)25-26-17-23-10-14(15(24-17)19(20,21)22)27-5-7-32-8-6-27/h10,12-13,31H,4-9,11H2,1-3H3,(H,25,30)(H,23,24,26)
InChIKeyHCDMCDKZEFKZHH-UHFFFAOYSA-N
XLogP2.07
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide?
The IUPAC name of N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide (CID 87264020) is N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide?
The canonical SMILES for N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide is CCC(C)(C)CC(CN(O)C=O)C(=O)NNc1ncc(N2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide?
The InChIKey is HCDMCDKZEFKZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N6O4/c1-4-18(2,3)9-13(11-28(31)12-29)16(30)25-26-17-23-10-14(15(24-17)19(20,21)22)27-5-7-32-8-6-27/h10,12-13,31H,4-9,11H2,1-3H3,(H,25,30)(H,23,24,26).
What are the key properties of N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide?
N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide has a molecular weight of 462.47 g/mol, XLogP of 2.07, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-dimethyl-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide is sourced from PubChem (CID 87264020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).