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

C11H14N6O4 — CID 3274218

IUPAC2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCc2ccco2)nc(NCCO)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O4/c12-9-8(17(19)20)10(13-3-4-18)16-11(15-9)14-6-7-2-1-5-21-7/h1-2,5,18H,3-4,6H2,(H4,12,13,14,15,16)
InChIKeyNBPSUBDMNIPSPU-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.58
Rot. Bonds7

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

2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol (PubChem CID 3274218) has the molecular formula C11H14N6O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol
PubChem CID3274218
Molecular FormulaC11H14N6O4
Molecular Weight294.27 g/mol
Exact Mass294.11
IUPAC Name2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCc2ccco2)nc(NCCO)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O4/c12-9-8(17(19)20)10(13-3-4-18)16-11(15-9)14-6-7-2-1-5-21-7/h1-2,5,18H,3-4,6H2,(H4,12,13,14,15,16)
InChIKeyNBPSUBDMNIPSPU-UHFFFAOYSA-N
XLogP0.58
TPSA152.37 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.58
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'}

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Related Compounds

(4-Amino-6-morpholin-4-yl-5-nitropyrimidin-2-yl)(2-furylmethyl)amine
CID 3425911
[4-Amino-6-(4-methylpiperazinyl)-5-nitropyrimidin-2-yl](2-furylmethyl)amine
CID 3571272
2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
CID 3624808
N'-(2,5-Dimethoxy-phenyl)-N-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine
CID 3632532
N-Furan-2-ylmethyl-5-nitro-N'-m-tolyl-pyrimidine-2,4,6-triamine
CID 3794495
{6-Amino-2-[(2-furylmethyl)amino]-5-nitropyrimidin-4-yl}(4-ethoxyphenyl)amine
CID 3821814
4-N-(4-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
CID 3822185
N-Furan-2-ylmethyl-N'-(2-methoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine
CID 3834358
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine
CID 4353120
{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(2-furylmethyl)amine
CID 3579343
[4-Amino-6-(4-methylpiperidyl)-5-nitropyrimidin-2-yl](2-furylmethyl)amine
CID 3796482
N~2~-(furan-2-ylmethyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
CID 3809812

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol (CID 3274218) is 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol is Nc1nc(NCc2ccco2)nc(NCCO)c1[N+](=O)[O-].
What is the InChIKey of 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
The InChIKey is NBPSUBDMNIPSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O4/c12-9-8(17(19)20)10(13-3-4-18)16-11(15-9)14-6-7-2-1-5-21-7/h1-2,5,18H,3-4,6H2,(H4,12,13,14,15,16).
What are the key properties of 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol has a molecular weight of 294.27 g/mol, XLogP of 0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 3274218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).