N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C16H28N6O3 — CID 87264722

IUPACN-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ncc(N(C)C)c(C)n1
InChIInChI=1S/C16H28N6O3/c1-5-6-7-8-13(10-22(25)11-23)15(24)19-20-16-17-9-14(21(3)4)12(2)18-16/h9,11,13,25H,5-8,10H2,1-4H3,(H,19,24)(H,17,18,20)
InChIKeyGTHQOCGJODKMSU-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.34
Rot. Bonds11

About N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264722) has the molecular formula C16H28N6O3 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87264722
Molecular FormulaC16H28N6O3
Molecular Weight352.44 g/mol
Exact Mass352.22
IUPAC NameN-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ncc(N(C)C)c(C)n1
InChIInChI=1S/C16H28N6O3/c1-5-6-7-8-13(10-22(25)11-23)15(24)19-20-16-17-9-14(21(3)4)12(2)18-16/h9,11,13,25H,5-8,10H2,1-4H3,(H,19,24)(H,17,18,20)
InChIKeyGTHQOCGJODKMSU-UHFFFAOYSA-N
XLogP1.34
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.34
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'}

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Related Compounds

N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-[(2R)-2-[[[4-(aminomethyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264719
N-[(2R)-2-[[[4-[[ethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 91460080
N-[2-[[[6-(dimethylamino)-7H-purin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264557
N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264154
N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264176
N-[(2R)-2-[[[4-(furan-3-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264425
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium
CID 91523949
N-hydroxy-N-[(2S)-2-[[[5-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 135746588
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87264199

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264722) is N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNc1ncc(N(C)C)c(C)n1.
What is the InChIKey of N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is GTHQOCGJODKMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O3/c1-5-6-7-8-13(10-22(25)11-23)15(24)19-20-16-17-9-14(21(3)4)12(2)18-16/h9,11,13,25H,5-8,10H2,1-4H3,(H,19,24)(H,17,18,20).
What are the key properties of N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 352.44 g/mol, XLogP of 1.34, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).