N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide

C13H22N4O — CID 112690921

IUPACN-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide
SMILESCc1cc(NC(C)C(=O)NC(C)(C)C)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-8-7-11(16-10(3)14-8)15-9(2)12(18)17-13(4,5)6/h7,9H,1-6H3,(H,17,18)(H,14,15,16)
InChIKeyIEWSTWTYMGBMOF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.81
Rot. Bonds3

About N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide

N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide (PubChem CID 112690921) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide
PubChem CID112690921
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide
SMILESCc1cc(NC(C)C(=O)NC(C)(C)C)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-8-7-11(16-10(3)14-8)15-9(2)12(18)17-13(4,5)6/h7,9H,1-6H3,(H,17,18)(H,14,15,16)
InChIKeyIEWSTWTYMGBMOF-UHFFFAOYSA-N
XLogP1.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide
CID 115626557
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide
CID 114565726
N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide
CID 112723454
N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 86868244
N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
CID 113464422
(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide
CID 129379444
N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
CID 113407899
N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
CID 115596829
N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
CID 115682841
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114766584
N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80800769
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80897487

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide (CID 112690921) is N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide is Cc1cc(NC(C)C(=O)NC(C)(C)C)nc(C)n1.
What is the InChIKey of N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide?
The InChIKey is IEWSTWTYMGBMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-7-11(16-10(3)14-8)15-9(2)12(18)17-13(4,5)6/h7,9H,1-6H3,(H,17,18)(H,14,15,16).
What are the key properties of N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide?
N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 112690921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).