N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide

C16H26N4O2 — CID 86192667

IUPACN-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccnc(NC(=O)CCCCC)n1
InChIInChI=1S/C16H26N4O2/c1-3-5-7-9-14(21)18-13-11-12-17-16(19-13)20-15(22)10-8-6-4-2/h11-12H,3-10H2,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyDUNNROGQJGQZJU-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.51
Rot. Bonds10

About N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide

N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide (PubChem CID 86192667) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide.

Molecular Properties

Compound NameN-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide
PubChem CID86192667
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccnc(NC(=O)CCCCC)n1
InChIInChI=1S/C16H26N4O2/c1-3-5-7-9-14(21)18-13-11-12-17-16(19-13)20-15(22)10-8-6-4-2/h11-12H,3-10H2,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyDUNNROGQJGQZJU-UHFFFAOYSA-N
XLogP3.51
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide?
The IUPAC name of N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide (CID 86192667) is N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide.
What is the SMILES notation for N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide?
The canonical SMILES for N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide is CCCCCC(=O)Nc1ccnc(NC(=O)CCCCC)n1.
What is the InChIKey of N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide?
The InChIKey is DUNNROGQJGQZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-5-7-9-14(21)18-13-11-12-17-16(19-13)20-15(22)10-8-6-4-2/h11-12H,3-10H2,1-2H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide?
N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide has a molecular weight of 306.41 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide is sourced from PubChem (CID 86192667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).