N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide

C14H20F3N5O3 — CID 154018896

IUPACN-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide
SMILESCC(C)CC[C@H](CN(O)C=O)C(=O)N(N)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O3/c1-9(2)3-4-10(7-21(25)8-23)12(24)22(18)13-19-6-5-11(20-13)14(15,16)17/h5-6,8-10,25H,3-4,7,18H2,1-2H3/t10-/m1/s1
InChIKeyMRQICXXKEYSUSZ-SNVBAGLBSA-N
MW363.34 g/mol
LogP1.60
Rot. Bonds8

About N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide

N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide (PubChem CID 154018896) has the molecular formula C14H20F3N5O3 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide
PubChem CID154018896
Molecular FormulaC14H20F3N5O3
Molecular Weight363.34 g/mol
Exact Mass363.15
IUPAC NameN-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide
SMILESCC(C)CC[C@H](CN(O)C=O)C(=O)N(N)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O3/c1-9(2)3-4-10(7-21(25)8-23)12(24)22(18)13-19-6-5-11(20-13)14(15,16)17/h5-6,8-10,25H,3-4,7,18H2,1-2H3/t10-/m1/s1
InChIKeyMRQICXXKEYSUSZ-SNVBAGLBSA-N
XLogP1.60
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide (CID 154018896) is N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide is CC(C)CC[C@H](CN(O)C=O)C(=O)N(N)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide?
The InChIKey is MRQICXXKEYSUSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20F3N5O3/c1-9(2)3-4-10(7-21(25)8-23)12(24)22(18)13-19-6-5-11(20-13)14(15,16)17/h5-6,8-10,25H,3-4,7,18H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide?
N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide has a molecular weight of 363.34 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide is sourced from PubChem (CID 154018896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).