2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol

C11H18N6O4 — CID 3693773

IUPAC2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol
SMILESNc1nc(NCCO)nc(NCC2CCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O4/c12-9-8(17(19)20)10(14-6-7-2-1-5-21-7)16-11(15-9)13-3-4-18/h7,18H,1-6H2,(H4,12,13,14,15,16)
InChIKeyRTXVHSBETURWIU-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.04
Rot. Bonds7

About 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol

2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol (PubChem CID 3693773) has the molecular formula C11H18N6O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol
PubChem CID3693773
Molecular FormulaC11H18N6O4
Molecular Weight298.30 g/mol
Exact Mass298.14
IUPAC Name2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol
SMILESNc1nc(NCCO)nc(NCC2CCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O4/c12-9-8(17(19)20)10(14-6-7-2-1-5-21-7)16-11(15-9)13-3-4-18/h7,18H,1-6H2,(H4,12,13,14,15,16)
InChIKeyRTXVHSBETURWIU-UHFFFAOYSA-N
XLogP-0.04
TPSA148.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

Clitocine
CID 129111
N-Methyl-5-nitro-N'-(tetrahydro-furan-2-ylmethyl)-pyrimidine-2,4,6-triamine
CID 3290758
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-N-(3-methoxypropyl)-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 4019101
2-[2-[[4-Amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethoxy]ethanol
CID 4919047
2-(6-Amino-2-dimethylamino-5-nitro-pyrimidin-4-ylamino)-ethanol
CID 3576822
(2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-5-nitro-pyrimidin-4-ylamino)-tetrahydro-furan-3,4-diol
CID 9795869
2-[[6-Amino-2-[3-(dimethylamino)propylamino]-5-nitro-4-pyrimidinyl]amino]ethanol
CID 4268417
6-Amino-5-nitro-4-imino-b-D-ribofuranosylpyrimidine
CID 11644921

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol (CID 3693773) is 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol is Nc1nc(NCCO)nc(NCC2CCCO2)c1[N+](=O)[O-].
What is the InChIKey of 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol?
The InChIKey is RTXVHSBETURWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O4/c12-9-8(17(19)20)10(14-6-7-2-1-5-21-7)16-11(15-9)13-3-4-18/h7,18H,1-6H2,(H4,12,13,14,15,16).
What are the key properties of 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol?
2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol has a molecular weight of 298.30 g/mol, XLogP of -0.04, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 3693773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).