2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol

C8H13N5O — CID 143150934

IUPAC2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol
SMILES[H]/N=C(\C)c1cnc(NCCO)nc1N
InChIInChI=1S/C8H13N5O/c1-5(9)6-4-12-8(11-2-3-14)13-7(6)10/h4,9,14H,2-3H2,1H3,(H3,10,11,12,13)/b9-5+
InChIKeyIYMDGFVEUQDTTB-WEVVVXLNSA-N
MW195.23 g/mol
LogP-0.15
Rot. Bonds4

About 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol

2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol (PubChem CID 143150934) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol
PubChem CID143150934
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol
SMILES[H]/N=C(\C)c1cnc(NCCO)nc1N
InChIInChI=1S/C8H13N5O/c1-5(9)6-4-12-8(11-2-3-14)13-7(6)10/h4,9,14H,2-3H2,1H3,(H3,10,11,12,13)/b9-5+
InChIKeyIYMDGFVEUQDTTB-WEVVVXLNSA-N
XLogP-0.15
TPSA107.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane
CID 145019698
butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
CID 144767802
2-[(9-ethylpurin-2-yl)amino]ethanol
CID 126594159
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
5-bromo-3-ethanimidoylpyrazin-2-amine
CID 143774899
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
2-(2-hydroxyethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 121470912
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol
CID 70987557
2-[(5-phenylpyrimidin-2-yl)amino]ethanol
CID 5157683
5-bromo-2-N-ethylpyrimidine-2,4-diamine
CID 80797744

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol?
The IUPAC name of 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol (CID 143150934) is 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol is [H]/N=C(\C)c1cnc(NCCO)nc1N.
What is the InChIKey of 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol?
The InChIKey is IYMDGFVEUQDTTB-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5(9)6-4-12-8(11-2-3-14)13-7(6)10/h4,9,14H,2-3H2,1H3,(H3,10,11,12,13)/b9-5+.
What are the key properties of 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol?
2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol has a molecular weight of 195.23 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 143150934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).