2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone

C11H17N5O — CID 61438253

IUPAC2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ncc(N)cn1
InChIInChI=1S/C11H17N5O/c1-15(11-13-6-9(12)7-14-11)8-10(17)16-4-2-3-5-16/h6-7H,2-5,8,12H2,1H3
InChIKeyJYCZTLFTDPWFKM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.12
Rot. Bonds3

About 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone

2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 61438253) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID61438253
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ncc(N)cn1
InChIInChI=1S/C11H17N5O/c1-15(11-13-6-9(12)7-14-11)8-10(17)16-4-2-3-5-16/h6-7H,2-5,8,12H2,1H3
InChIKeyJYCZTLFTDPWFKM-UHFFFAOYSA-N
XLogP0.12
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 106811767
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one
CID 114393085
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 63728798
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533
ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 43067977
2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone
CID 43458262
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 66262023

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone (CID 61438253) is 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1ncc(N)cn1.
What is the InChIKey of 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is JYCZTLFTDPWFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-15(11-13-6-9(12)7-14-11)8-10(17)16-4-2-3-5-16/h6-7H,2-5,8,12H2,1H3.
What are the key properties of 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 235.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 61438253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).