2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide

C13H23N5O — CID 80821107

IUPAC2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1ccnc(NCCC)n1
InChIInChI=1S/C13H23N5O/c1-3-5-9-18(10-11(14)19)12-6-8-16-13(17-12)15-7-4-2/h6,8H,3-5,7,9-10H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyDWEVKPIBERYGPP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.39
Rot. Bonds9

About 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide

2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80821107) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80821107
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1ccnc(NCCC)n1
InChIInChI=1S/C13H23N5O/c1-3-5-9-18(10-11(14)19)12-6-8-16-13(17-12)15-7-4-2/h6,8H,3-5,7,9-10H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyDWEVKPIBERYGPP-UHFFFAOYSA-N
XLogP1.39
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminopyrimidin-4-yl)-butylamino]acetamide
CID 80821112
2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide
CID 62343261
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805066
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
N-butyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80918365
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
2-[(2-hydrazinylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901634
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80799138
2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80636665

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide (CID 80821107) is 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide is CCCCN(CC(N)=O)c1ccnc(NCCC)n1.
What is the InChIKey of 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is DWEVKPIBERYGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-5-9-18(10-11(14)19)12-6-8-16-13(17-12)15-7-4-2/h6,8H,3-5,7,9-10H2,1-2H3,(H2,14,19)(H,15,16,17).
What are the key properties of 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide?
2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80821107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).