2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide

C13H21N5O — CID 80967047

IUPAC2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
SMILESCNc1cc(N(C)CC(=O)N(C)C)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-14-10-7-11(16-13(15-10)9-5-6-9)18(4)8-12(19)17(2)3/h7,9H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyXAKROIQAHHYKLL-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.92
Rot. Bonds5

About 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide

2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide (PubChem CID 80967047) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
PubChem CID80967047
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
SMILESCNc1cc(N(C)CC(=O)N(C)C)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-14-10-7-11(16-13(15-10)9-5-6-9)18(4)8-12(19)17(2)3/h7,9H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyXAKROIQAHHYKLL-UHFFFAOYSA-N
XLogP0.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80960767
N,N-dimethyl-2-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779138
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80963769
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667758
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 137009112
2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959120
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962128
N,N-dimethyl-2-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779921
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80964380
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 80954139
2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80956101
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide (CID 80967047) is 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide is CNc1cc(N(C)CC(=O)N(C)C)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is XAKROIQAHHYKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-14-10-7-11(16-13(15-10)9-5-6-9)18(4)8-12(19)17(2)3/h7,9H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide?
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80967047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).