2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide

C15H25N3O — CID 130266047

IUPAC2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide
SMILESCC(C)(C)CCC(C)(C)C(=O)NCc1ccncn1
InChIInChI=1S/C15H25N3O/c1-14(2,3)7-8-15(4,5)13(19)17-10-12-6-9-16-11-18-12/h6,9,11H,7-8,10H2,1-5H3,(H,17,19)
InChIKeyIZGFTWSCGHUAAA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.95
Rot. Bonds5

About 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide

2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide (PubChem CID 130266047) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide
PubChem CID130266047
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide
SMILESCC(C)(C)CCC(C)(C)C(=O)NCc1ccncn1
InChIInChI=1S/C15H25N3O/c1-14(2,3)7-8-15(4,5)13(19)17-10-12-6-9-16-11-18-12/h6,9,11H,7-8,10H2,1-5H3,(H,17,19)
InChIKeyIZGFTWSCGHUAAA-UHFFFAOYSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyrimidin-4-ylmethylamino)benzoic acid
CID 55210671
4,4-dimethyl-1-pyrimidin-4-ylpentan-3-one
CID 158821572
tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate
CID 107236805
(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid
CID 114111844
2-ethyl-2-(pyrimidin-4-ylmethylamino)propane-1,3-diol
CID 107864870
2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide
CID 135208415
2-(4-aminophenyl)-N-(pyrimidin-4-ylmethyl)acetamide
CID 114110299
N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760777
2,2,5,5-tetramethyl-N-pyrimidin-5-ylhexanamide
CID 130266338
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-(pyrimidin-4-ylmethylamino)acetamide
CID 62758549
2,5-dihydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111164

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide?
The IUPAC name of 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide (CID 130266047) is 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide is CC(C)(C)CCC(C)(C)C(=O)NCc1ccncn1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide?
The InChIKey is IZGFTWSCGHUAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-14(2,3)7-8-15(4,5)13(19)17-10-12-6-9-16-11-18-12/h6,9,11H,7-8,10H2,1-5H3,(H,17,19).
What are the key properties of 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide?
2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide has a molecular weight of 263.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(pyrimidin-4-ylmethyl)hexanamide is sourced from PubChem (CID 130266047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).