N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide

C11H18N4O — CID 78954650

IUPACN-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide
SMILESCc1cc(NCC(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C11H18N4O/c1-8-5-9(14-7-13-8)12-6-10(16)15-11(2,3)4/h5,7H,6H2,1-4H3,(H,15,16)(H,12,13,14)
InChIKeyAGZBBKVWMGVWNR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.11
Rot. Bonds3

About N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide

N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide (PubChem CID 78954650) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide
PubChem CID78954650
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide
SMILESCc1cc(NCC(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C11H18N4O/c1-8-5-9(14-7-13-8)12-6-10(16)15-11(2,3)4/h5,7H,6H2,1-4H3,(H,15,16)(H,12,13,14)
InChIKeyAGZBBKVWMGVWNR-UHFFFAOYSA-N
XLogP1.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
6-methyl-N-(2-methylidenebutyl)pyrimidin-4-amine
CID 131071652
N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide
CID 106549887
N-tert-butyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812139
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 61225699
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023
N-tert-butyl-2-[(5-chloro-2-pyridinyl)amino]acetamide
CID 79035029
1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
CID 61226295
2-[(5-amino-6-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 115356046
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
CID 113293339

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide (CID 78954650) is N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide is Cc1cc(NCC(=O)NC(C)(C)C)ncn1.
What is the InChIKey of N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide?
The InChIKey is AGZBBKVWMGVWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-5-9(14-7-13-8)12-6-10(16)15-11(2,3)4/h5,7H,6H2,1-4H3,(H,15,16)(H,12,13,14).
What are the key properties of N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.11, 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-[(6-methylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 78954650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).