2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide

C13H23N5O — CID 103103176

IUPAC2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1ncc(CNC(C)(C)C)cn1
InChIInChI=1S/C13H23N5O/c1-5-18(9-11(14)19)12-15-6-10(7-16-12)8-17-13(2,3)4/h6-7,17H,5,8-9H2,1-4H3,(H2,14,19)
InChIKeyKKHOOQMKSHSEAY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.68
Rot. Bonds6

About 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide

2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide (PubChem CID 103103176) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide
PubChem CID103103176
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1ncc(CNC(C)(C)C)cn1
InChIInChI=1S/C13H23N5O/c1-5-18(9-11(14)19)12-15-6-10(7-16-12)8-17-13(2,3)4/h6-7,17H,5,8-9H2,1-4H3,(H2,14,19)
InChIKeyKKHOOQMKSHSEAY-UHFFFAOYSA-N
XLogP0.68
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]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

2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide
CID 103103249
2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80636665
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
2-[[5-(aminomethyl)-2-pyridinyl]-ethylamino]acetamide
CID 103101253
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide
CID 80630555
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
CID 80632065
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62755700
2-[ethyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]acetamide
CID 103103251
2-(diethylamino)pyrimidine-5-carboxylic acid
CID 42281393
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide?
The IUPAC name of 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide (CID 103103176) is 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide?
The canonical SMILES for 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide is CCN(CC(N)=O)c1ncc(CNC(C)(C)C)cn1.
What is the InChIKey of 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide?
The InChIKey is KKHOOQMKSHSEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-18(9-11(14)19)12-15-6-10(7-16-12)8-17-13(2,3)4/h6-7,17H,5,8-9H2,1-4H3,(H2,14,19).
What are the key properties of 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide?
2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide is sourced from PubChem (CID 103103176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).