N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide

C8H13N5O — CID 79006981

IUPACN-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(N)ncn1
InChIInChI=1S/C8H13N5O/c1-6(14)10-2-3-11-8-4-7(9)12-5-13-8/h4-5H,2-3H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeyROELRDIEKHIQRQ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.39
Rot. Bonds4

About N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 79006981) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID79006981
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC NameN-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(N)ncn1
InChIInChI=1S/C8H13N5O/c1-6(14)10-2-3-11-8-4-7(9)12-5-13-8/h4-5H,2-3H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeyROELRDIEKHIQRQ-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

3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide
CID 80819831
2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate
CID 83215450
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
2-[(6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83118066
N-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethyl]acetamide
CID 80788685
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
6-(2-acetamidoethylamino)pyridazine-3-carboxamide
CID 79769956
4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80790889
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 110430172
N-[2-[(5-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79917896

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide (CID 79006981) is N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1cc(N)ncn1.
What is the InChIKey of N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is ROELRDIEKHIQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-6(14)10-2-3-11-8-4-7(9)12-5-13-8/h4-5H,2-3H2,1H3,(H,10,14)(H3,9,11,12,13).
What are the key properties of N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(6-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-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 79006981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).