2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide

C11H19N5O — CID 79826827

IUPAC2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1ccc(N)c(N)n1
InChIInChI=1S/C11H19N5O/c1-7(2)14-10(17)6-16(3)9-5-4-8(12)11(13)15-9/h4-5,7H,6,12H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyBPXBNLJXYIPDOS-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.21
Rot. Bonds4

About 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide

2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 79826827) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
PubChem CID79826827
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1ccc(N)c(N)n1
InChIInChI=1S/C11H19N5O/c1-7(2)14-10(17)6-16(3)9-5-4-8(12)11(13)15-9/h4-5,7H,6,12H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyBPXBNLJXYIPDOS-UHFFFAOYSA-N
XLogP0.21
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55005158
2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55206707
5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
CID 114406077
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80820844
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80630228
2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80964094
2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 71849240
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
CID 103467546

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide (CID 79826827) is 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1ccc(N)c(N)n1.
What is the InChIKey of 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is BPXBNLJXYIPDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7(2)14-10(17)6-16(3)9-5-4-8(12)11(13)15-9/h4-5,7H,6,12H2,1-3H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 237.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79826827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).