N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide

C8H13N5O — CID 79917896

IUPACN-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncncc1N
InChIInChI=1S/C8H13N5O/c1-6(14)11-2-3-12-8-7(9)4-10-5-13-8/h4-5H,2-3,9H2,1H3,(H,11,14)(H,10,12,13)
InChIKeyMNCIIFACWCNCMQ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.39
Rot. Bonds4

About N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 79917896) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID79917896
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC NameN-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncncc1N
InChIInChI=1S/C8H13N5O/c1-6(14)11-2-3-12-8-7(9)4-10-5-13-8/h4-5H,2-3,9H2,1H3,(H,11,14)(H,10,12,13)
InChIKeyMNCIIFACWCNCMQ-UHFFFAOYSA-N
XLogP-0.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide
CID 66340325
methyl 3-[(5-aminopyrimidin-4-yl)amino]propanoate
CID 79918514
N-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethyl]acetamide
CID 80788685
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 113409561
4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine
CID 79915723
methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate
CID 79908313
N-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 79021592
N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 110430172
tert-butyl N-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]carbamate
CID 115714879
N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79006981
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
N-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]acetamide
CID 63207920

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide (CID 79917896) is N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1ncncc1N.
What is the InChIKey of N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is MNCIIFACWCNCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-6(14)11-2-3-12-8-7(9)4-10-5-13-8/h4-5H,2-3,9H2,1H3,(H,11,14)(H,10,12,13).
What are the key properties of N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 195.23 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 79917896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).