2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide

C11H18BrN5O — CID 80808680

IUPAC2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(NC)ncc1Br
InChIInChI=1S/C11H18BrN5O/c1-5-17(7-9(18)16(3)4)10-8(12)6-14-11(13-2)15-10/h6H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyPVMGMQGIAPKELB-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.20
Rot. Bonds5

About 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide (PubChem CID 80808680) has the molecular formula C11H18BrN5O and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
PubChem CID80808680
Molecular FormulaC11H18BrN5O
Molecular Weight316.20 g/mol
Exact Mass315.07
IUPAC Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(NC)ncc1Br
InChIInChI=1S/C11H18BrN5O/c1-5-17(7-9(18)16(3)4)10-8(12)6-14-11(13-2)15-10/h6H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyPVMGMQGIAPKELB-UHFFFAOYSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80805068
5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
CID 80776307
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80805687
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 79632500
5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845628
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 103332682
2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104778072
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid
CID 114047069
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 80630363
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80806625
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80805960

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide (CID 80808680) is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1nc(NC)ncc1Br.
What is the InChIKey of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
The InChIKey is PVMGMQGIAPKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O/c1-5-17(7-9(18)16(3)4)10-8(12)6-14-11(13-2)15-10/h6H,5,7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide has a molecular weight of 316.20 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80808680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).