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

C7H11N5O3 — CID 51045406

IUPAC2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O3/c1-11(2-3-13)7-5(12(14)15)6(8)9-4-10-7/h4,13H,2-3H2,1H3,(H2,8,9,10)
InChIKeyAYTQZTTXNAASLF-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.60
Rot. Bonds4

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

2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol (PubChem CID 51045406) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol
PubChem CID51045406
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O3/c1-11(2-3-13)7-5(12(14)15)6(8)9-4-10-7/h4,13H,2-3H2,1H3,(H2,8,9,10)
InChIKeyAYTQZTTXNAASLF-UHFFFAOYSA-N
XLogP-0.60
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
1-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826749
4-N-methyl-5-nitro-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791146
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80808538
4-N-(cyclopropylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80797881
1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114953991
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80839205
4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine
CID 80815798
4-N-butan-2-yl-4-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80784628
6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
CID 62102659
2-[(6-amino-5-nitropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808990
2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 13157472

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol?
The IUPAC name of 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol (CID 51045406) is 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol is CN(CCO)c1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol?
The InChIKey is AYTQZTTXNAASLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-11(2-3-13)7-5(12(14)15)6(8)9-4-10-7/h4,13H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol?
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol has a molecular weight of 213.20 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol is sourced from PubChem (CID 51045406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).