2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide

C13H24N6O — CID 80656109

IUPAC2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nc(C)cc(NN)n1
InChIInChI=1S/C13H24N6O/c1-5-19(8-13(20)15-9(2)3)7-12-16-10(4)6-11(17-12)18-14/h6,9H,5,7-8,14H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyUXCULCBQHJVJTD-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.42
Rot. Bonds7

About 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 80656109) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID80656109
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nc(C)cc(NN)n1
InChIInChI=1S/C13H24N6O/c1-5-19(8-13(20)15-9(2)3)7-12-16-10(4)6-11(17-12)18-14/h6,9H,5,7-8,14H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyUXCULCBQHJVJTD-UHFFFAOYSA-N
XLogP0.42
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80655767
2-[ethyl-[(6-hydrazinyl-2-pyridinyl)methyl]amino]-N-propan-2-ylacetamide
CID 79242850
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 80655474
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107871100
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 62890643
2-[ethyl-[[4-(hydrazinecarbonyl)phenyl]methyl]amino]-N-propan-2-ylacetamide
CID 63584771
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 103182194
2-[cyanomethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]acetonitrile
CID 80655668
2-[(3-amino-4-hydroxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54985803
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51171141
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]acetamide
CID 103101700

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide (CID 80656109) is 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1nc(C)cc(NN)n1.
What is the InChIKey of 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is UXCULCBQHJVJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-5-19(8-13(20)15-9(2)3)7-12-16-10(4)6-11(17-12)18-14/h6,9H,5,7-8,14H2,1-4H3,(H,15,20)(H,16,17,18).
What are the key properties of 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 280.38 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80656109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).