2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide

C13H23N5O — CID 80808678

IUPAC2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
SMILESCCNc1cc(N(CC)CC(=O)N(C)C)nc(C)n1
InChIInChI=1S/C13H23N5O/c1-6-14-11-8-12(16-10(3)15-11)18(7-2)9-13(19)17(4)5/h8H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyABORBTXSHLNSRB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.13
Rot. Bonds6

About 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide

2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide (PubChem CID 80808678) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
PubChem CID80808678
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
SMILESCCNc1cc(N(CC)CC(=O)N(C)C)nc(C)n1
InChIInChI=1S/C13H23N5O/c1-6-14-11-8-12(16-10(3)15-11)18(7-2)9-13(19)17(4)5/h8H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyABORBTXSHLNSRB-UHFFFAOYSA-N
XLogP1.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide (CID 80808678) is 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide is CCNc1cc(N(CC)CC(=O)N(C)C)nc(C)n1.
What is the InChIKey of 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide?
The InChIKey is ABORBTXSHLNSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-14-11-8-12(16-10(3)15-11)18(7-2)9-13(19)17(4)5/h8H,6-7,9H2,1-5H3,(H,14,15,16).
What are the key properties of 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide?
2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide has a molecular weight of 265.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 80808678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).