2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol

C8H14N6O3 — CID 3576822

IUPAC2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol
SMILESCN(C)c1nc(N)c([N+](=O)[O-])c(NCCO)n1
InChIInChI=1S/C8H14N6O3/c1-13(2)8-11-6(9)5(14(16)17)7(12-8)10-3-4-15/h15H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeySJGYZLPQUOFJJI-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.56
Rot. Bonds5

About 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol

2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol (PubChem CID 3576822) has the molecular formula C8H14N6O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol
PubChem CID3576822
Molecular FormulaC8H14N6O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol
SMILESCN(C)c1nc(N)c([N+](=O)[O-])c(NCCO)n1
InChIInChI=1S/C8H14N6O3/c1-13(2)8-11-6(9)5(14(16)17)7(12-8)10-3-4-15/h15H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeySJGYZLPQUOFJJI-UHFFFAOYSA-N
XLogP-0.56
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N4-cyclohexyl-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
CID 3278590
2-[[6-Amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol
CID 3435197
2-(2-((4-Amino-6-(azepan-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
CID 3573667
2-N,2-N-dimethyl-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 3622726
2-[2-[[4-Amino-6-(cyclohexylamino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol
CID 3728131
2-(2-Allylamino-6-amino-5-nitro-pyrimidin-4-ylamino)-ethanol
CID 4045169
2-[[6-Amino-2-[3-(dimethylamino)propylamino]-5-nitro-4-pyrimidinyl]amino]ethanol
CID 4268417
2-(6-Amino-2-diethylamino-5-nitro-pyrimidin-4-ylamino)-ethanol
CID 3632941
2-[[4-Amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol
CID 3693773
2-[[6-Amino-2-(3-methylbutylamino)-5-nitropyrimidin-4-yl]amino]ethanol
CID 3380812
6-(azepan-1-yl)-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine
CID 3387038
4-N-cyclohexyl-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
CID 3456950

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol (CID 3576822) is 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol is CN(C)c1nc(N)c([N+](=O)[O-])c(NCCO)n1.
What is the InChIKey of 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
The InChIKey is SJGYZLPQUOFJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O3/c1-13(2)8-11-6(9)5(14(16)17)7(12-8)10-3-4-15/h15H,3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol has a molecular weight of 242.24 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(dimethylamino)-5-nitropyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 3576822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).