N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide

C18H29FN6O4 — CID 87263887

IUPACN-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)c(F)c(N2CCOCC2)n1
InChIInChI=1S/C18H29FN6O4/c1-3-4-5-6-14(11-25(28)12-26)17(27)22-23-18-20-13(2)15(19)16(21-18)24-7-9-29-10-8-24/h12,14,28H,3-11H2,1-2H3,(H,22,27)(H,20,21,23)/t14-/m1/s1
InChIKeyOXTATROBJZTHDT-CQSZACIVSA-N
MW412.47 g/mol
LogP1.25
Rot. Bonds11

About N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87263887) has the molecular formula C18H29FN6O4 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87263887
Molecular FormulaC18H29FN6O4
Molecular Weight412.47 g/mol
Exact Mass412.22
IUPAC NameN-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)c(F)c(N2CCOCC2)n1
InChIInChI=1S/C18H29FN6O4/c1-3-4-5-6-14(11-25(28)12-26)17(27)22-23-18-20-13(2)15(19)16(21-18)24-7-9-29-10-8-24/h12,14,28H,3-11H2,1-2H3,(H,22,27)(H,20,21,23)/t14-/m1/s1
InChIKeyOXTATROBJZTHDT-CQSZACIVSA-N
XLogP1.25
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87263887) is N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)c(F)c(N2CCOCC2)n1.
What is the InChIKey of N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is OXTATROBJZTHDT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29FN6O4/c1-3-4-5-6-14(11-25(28)12-26)17(27)22-23-18-20-13(2)15(19)16(21-18)24-7-9-29-10-8-24/h12,14,28H,3-11H2,1-2H3,(H,22,27)(H,20,21,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 412.47 g/mol, XLogP of 1.25, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87263887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).