N-pyrimidin-2-yldodecanamide

C16H27N3O — CID 4599879

IUPACN-pyrimidin-2-yldodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C16H27N3O/c1-2-3-4-5-6-7-8-9-10-12-15(20)19-16-17-13-11-14-18-16/h11,13-14H,2-10,12H2,1H3,(H,17,18,19,20)
InChIKeyIOYYMQKULZQWSA-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.34
Rot. Bonds11

About N-pyrimidin-2-yldodecanamide

N-pyrimidin-2-yldodecanamide (PubChem CID 4599879) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-pyrimidin-2-yldodecanamide.

Molecular Properties

Compound NameN-pyrimidin-2-yldodecanamide
PubChem CID4599879
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-pyrimidin-2-yldodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C16H27N3O/c1-2-3-4-5-6-7-8-9-10-12-15(20)19-16-17-13-11-14-18-16/h11,13-14H,2-10,12H2,1H3,(H,17,18,19,20)
InChIKeyIOYYMQKULZQWSA-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetoacetamidopyrimidine
CID 249238
2-Acetamidopyrimidine
CID 273584
(3S)-3,7-diamino-N-methyl-N-[6-oxo-2-(pyrimidin-2-ylamino)-4,5-dihydro-1H-pyrimidin-5-yl]heptanamide;dihydrochloride
CID 90664534
N-(pyrimidin-2-yl)cyclohexanecarboxamide
CID 819233
N-pyrimidin-2-ylundec-10-enamide
CID 1725648
Pyrimidine, 2-n-heptylamino-
CID 23423797
N-octylpyrimidin-2-amine
CID 21658403
Valeramide, 2-propyl-N-(2-pyrimidinyl)-
CID 88962
N-dodecyl-2-pyrimidinamine
CID 1803190
2,2-dimethyl-N-(pyrimidin-2-yl)propanamide
CID 3524781
N-(2-pyrimidyl) butanamide
CID 4220870
N-(pyrimidin-2-yl)hexanamide
CID 4250539

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yldodecanamide?
The IUPAC name of N-pyrimidin-2-yldodecanamide (CID 4599879) is N-pyrimidin-2-yldodecanamide.
What is the SMILES notation for N-pyrimidin-2-yldodecanamide?
The canonical SMILES for N-pyrimidin-2-yldodecanamide is CCCCCCCCCCCC(=O)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-yldodecanamide?
The InChIKey is IOYYMQKULZQWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-3-4-5-6-7-8-9-10-12-15(20)19-16-17-13-11-14-18-16/h11,13-14H,2-10,12H2,1H3,(H,17,18,19,20).
What are the key properties of N-pyrimidin-2-yldodecanamide?
N-pyrimidin-2-yldodecanamide has a molecular weight of 277.41 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yldodecanamide is sourced from PubChem (CID 4599879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).