2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide

C14H25N5O — CID 80982412

IUPAC2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(CC)nc(NC)c1C
InChIInChI=1S/C14H25N5O/c1-5-7-8-19(9-11(15)20)14-10(3)13(16-4)17-12(6-2)18-14/h5-9H2,1-4H3,(H2,15,20)(H,16,17,18)
InChIKeyHPAHKBUQXHPXSN-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.48
Rot. Bonds8

About 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide

2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80982412) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80982412
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(CC)nc(NC)c1C
InChIInChI=1S/C14H25N5O/c1-5-7-8-19(9-11(15)20)14-10(3)13(16-4)17-12(6-2)18-14/h5-9H2,1-4H3,(H2,15,20)(H,16,17,18)
InChIKeyHPAHKBUQXHPXSN-UHFFFAOYSA-N
XLogP1.48
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390
2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80987036
2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80972549
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80994953
2-[ethyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 103104381
2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide
CID 80971414
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80820561
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-butylamino]acetamide
CID 114995054
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
4-N-butyl-2-cyclopropyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976584
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779123
2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757385

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide (CID 80982412) is 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide is CCCCN(CC(N)=O)c1nc(CC)nc(NC)c1C.
What is the InChIKey of 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is HPAHKBUQXHPXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-7-8-19(9-11(15)20)14-10(3)13(16-4)17-12(6-2)18-14/h5-9H2,1-4H3,(H2,15,20)(H,16,17,18).
What are the key properties of 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide?
2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80982412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).