N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide

C18H32N4O — CID 133382599

IUPACN-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C18H32N4O/c1-12(2)15(23)20-10-9-19-14-11-13(17(3,4)5)21-16(22-14)18(6,7)8/h11-12H,9-10H2,1-8H3,(H,20,23)(H,19,21,22)
InChIKeyLWYMJRBJTVZUSM-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.26
Rot. Bonds5

About N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide

N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide (PubChem CID 133382599) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
PubChem CID133382599
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C18H32N4O/c1-12(2)15(23)20-10-9-19-14-11-13(17(3,4)5)21-16(22-14)18(6,7)8/h11-12H,9-10H2,1-8H3,(H,20,23)(H,19,21,22)
InChIKeyLWYMJRBJTVZUSM-UHFFFAOYSA-N
XLogP3.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.26
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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Related Compounds

3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
CID 133381809
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
3-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118642
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide
CID 91790847
2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 133367691
2-[(2,6-ditert-butylpyrimidin-4-yl)amino]butan-1-ol
CID 133367652
6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 79197478
6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633181
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80958459

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide (CID 133382599) is N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide?
The InChIKey is LWYMJRBJTVZUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-12(2)15(23)20-10-9-19-14-11-13(17(3,4)5)21-16(22-14)18(6,7)8/h11-12H,9-10H2,1-8H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide?
N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide has a molecular weight of 320.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 133382599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).