N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C16H27FN6O3 — CID 10384534

IUPACN-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(N(C)CC)c(F)n1
InChIInChI=1S/C16H27FN6O3/c1-4-6-7-8-12(10-23(26)11-24)15(25)20-21-16-18-9-13(14(17)19-16)22(3)5-2/h9,11-12,26H,4-8,10H2,1-3H3,(H,20,25)(H,18,19,21)/t12-/m1/s1
InChIKeyJUCJUWDORMKREE-GFCCVEGCSA-N
MW370.43 g/mol
LogP1.56
Rot. Bonds12

About N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 10384534) has the molecular formula C16H27FN6O3 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID10384534
Molecular FormulaC16H27FN6O3
Molecular Weight370.43 g/mol
Exact Mass370.21
IUPAC NameN-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(N(C)CC)c(F)n1
InChIInChI=1S/C16H27FN6O3/c1-4-6-7-8-12(10-23(26)11-24)15(25)20-21-16-18-9-13(14(17)19-16)22(3)5-2/h9,11-12,26H,4-8,10H2,1-3H3,(H,20,25)(H,18,19,21)/t12-/m1/s1
InChIKeyJUCJUWDORMKREE-GFCCVEGCSA-N
XLogP1.56
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 10384534) is N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(N(C)CC)c(F)n1.
What is the InChIKey of N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is JUCJUWDORMKREE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H27FN6O3/c1-4-6-7-8-12(10-23(26)11-24)15(25)20-21-16-18-9-13(14(17)19-16)22(3)5-2/h9,11-12,26H,4-8,10H2,1-3H3,(H,20,25)(H,18,19,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 370.43 g/mol, XLogP of 1.56, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[[5-[ethyl(methyl)amino]-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 10384534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).