N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide

C12H20N4O — CID 112688824

IUPACN-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide
SMILESCC(NCc1cncnc1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H20N4O/c1-9(11(17)16-12(2,3)4)15-7-10-5-13-8-14-6-10/h5-6,8-9,15H,7H2,1-4H3,(H,16,17)
InChIKeyZVTINGVIXKNFBN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.87
Rot. Bonds4

About N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide

N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide (PubChem CID 112688824) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide
PubChem CID112688824
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide
SMILESCC(NCc1cncnc1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H20N4O/c1-9(11(17)16-12(2,3)4)15-7-10-5-13-8-14-6-10/h5-6,8-9,15H,7H2,1-4H3,(H,16,17)
InChIKeyZVTINGVIXKNFBN-UHFFFAOYSA-N
XLogP0.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
N-tert-butyl-2-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438042
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
2-[4-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetic acid
CID 103262777
N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide
CID 62847742
N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide
CID 115693123
N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 115600363
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115588909
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956
N-tert-butyl-2-(naphthalen-1-ylmethylamino)propanamide
CID 62050441
5,5-dimethyl-2-(pyrimidin-5-ylmethylamino)hexanoic acid
CID 175558789

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide (CID 112688824) is N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide is CC(NCc1cncnc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide?
The InChIKey is ZVTINGVIXKNFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(11(17)16-12(2,3)4)15-7-10-5-13-8-14-6-10/h5-6,8-9,15H,7H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide?
N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide is sourced from PubChem (CID 112688824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).