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

C15H25FN6O3 — CID 74030971

IUPACN-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ncc(N(C)C)c(F)n1
InChIInChI=1S/C15H25FN6O3/c1-4-5-6-7-11(9-22(25)10-23)14(24)19-20-15-17-8-12(21(2)3)13(16)18-15/h8,10-11,25H,4-7,9H2,1-3H3,(H,19,24)(H,17,18,20)
InChIKeyPBGQJEHTDZNXLC-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.17
Rot. Bonds11

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

N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 74030971) has the molecular formula C15H25FN6O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID74030971
Molecular FormulaC15H25FN6O3
Molecular Weight356.40 g/mol
Exact Mass356.20
IUPAC NameN-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ncc(N(C)C)c(F)n1
InChIInChI=1S/C15H25FN6O3/c1-4-5-6-7-11(9-22(25)10-23)14(24)19-20-15-17-8-12(21(2)3)13(16)18-15/h8,10-11,25H,4-7,9H2,1-3H3,(H,19,24)(H,17,18,20)
InChIKeyPBGQJEHTDZNXLC-UHFFFAOYSA-N
XLogP1.17
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 74030971) is N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNc1ncc(N(C)C)c(F)n1.
What is the InChIKey of N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is PBGQJEHTDZNXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN6O3/c1-4-5-6-7-11(9-22(25)10-23)14(24)19-20-15-17-8-12(21(2)3)13(16)18-15/h8,10-11,25H,4-7,9H2,1-3H3,(H,19,24)(H,17,18,20).
What are the key properties of N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[[5-(dimethylamino)-4-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 356.40 g/mol, XLogP of 1.17, 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-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 74030971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).