2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide

C11H17N5O — CID 103102717

IUPAC2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1ncnc2c1CNCC2
InChIInChI=1S/C11H17N5O/c1-2-16(6-10(12)17)11-8-5-13-4-3-9(8)14-7-15-11/h7,13H,2-6H2,1H3,(H2,12,17)
InChIKeyBLBJEACHKUCAAX-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.57
Rot. Bonds4

About 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide

2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 103102717) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID103102717
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1ncnc2c1CNCC2
InChIInChI=1S/C11H17N5O/c1-2-16(6-10(12)17)11-8-5-13-4-3-9(8)14-7-15-11/h7,13H,2-6H2,1H3,(H2,12,17)
InChIKeyBLBJEACHKUCAAX-UHFFFAOYSA-N
XLogP-0.57
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103651
N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 81223557
2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
CID 103101135
N-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223373
ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate
CID 56777005
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-ethylethane-1,2-diamine
CID 63766436
N-(2-methylpropyl)-N-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223378
2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide
CID 103103014
N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 81223644
N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223554
methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957317
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 103104506

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide (CID 103102717) is 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide is CCN(CC(N)=O)c1ncnc2c1CNCC2.
What is the InChIKey of 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is BLBJEACHKUCAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-16(6-10(12)17)11-8-5-13-4-3-9(8)14-7-15-11/h7,13H,2-6H2,1H3,(H2,12,17).
What are the key properties of 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide?
2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 235.29 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 103102717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).