3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

C13H21BrN4O — CID 106917442

IUPAC3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Br)nc(C(C)(C)C)n1
InChIInChI=1S/C13H21BrN4O/c1-13(2,3)12-16-9(14)8-10(17-12)18(5)7-6-11(19)15-4/h8H,6-7H2,1-5H3,(H,15,19)
InChIKeyPXCAYKFEJRUDST-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.11
Rot. Bonds4

About 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 106917442) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID106917442
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Br)nc(C(C)(C)C)n1
InChIInChI=1S/C13H21BrN4O/c1-13(2,3)12-16-9(14)8-10(17-12)18(5)7-6-11(19)15-4/h8H,6-7H2,1-5H3,(H,15,19)
InChIKeyPXCAYKFEJRUDST-UHFFFAOYSA-N
XLogP2.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918578
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
3-[(6-hydrazinyl-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106918756
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917420
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918557
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 91766904
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 103580195
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720
2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957496

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 106917442) is 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(Br)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is PXCAYKFEJRUDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-13(2,3)12-16-9(14)8-10(17-12)18(5)7-6-11(19)15-4/h8H,6-7H2,1-5H3,(H,15,19).
What are the key properties of 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106917442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).