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

C11H20N6O — CID 80809651

IUPAC2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(NC)nc(N)n1
InChIInChI=1S/C11H20N6O/c1-5-17(7-10(18)16(3)4)9-6-8(13-2)14-11(12)15-9/h6H,5,7H2,1-4H3,(H3,12,13,14,15)
InChIKeyLVCRSFPHHHTMRR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.01
Rot. Bonds5

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

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide (PubChem CID 80809651) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
PubChem CID80809651
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(NC)nc(N)n1
InChIInChI=1S/C11H20N6O/c1-5-17(7-10(18)16(3)4)9-6-8(13-2)14-11(12)15-9/h6H,5,7H2,1-4H3,(H3,12,13,14,15)
InChIKeyLVCRSFPHHHTMRR-UHFFFAOYSA-N
XLogP0.01
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 102717832
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 80896124
2-[(2-aminopyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80809739
2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80808678
N,N-dimethyl-2-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-propylamino]acetamide
CID 80961595
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809834
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80960984
2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 79492398
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80820844
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
N,N-dimethyl-2-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779138
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide (CID 80809651) is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cc(NC)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
The InChIKey is LVCRSFPHHHTMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-5-17(7-10(18)16(3)4)9-6-8(13-2)14-11(12)15-9/h6H,5,7H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide?
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80809651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).