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

C10H18N6O3 — CID 3435197

IUPAC2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol
SMILESCCC(C)Nc1nc(N)c([N+](=O)[O-])c(NCCO)n1
InChIInChI=1S/C10H18N6O3/c1-3-6(2)13-10-14-8(11)7(16(18)19)9(15-10)12-4-5-17/h6,17H,3-5H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyOLVLYXWVPSSIHD-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.58
Rot. Bonds7

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

2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol (PubChem CID 3435197) has the molecular formula C10H18N6O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol
PubChem CID3435197
Molecular FormulaC10H18N6O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol
SMILESCCC(C)Nc1nc(N)c([N+](=O)[O-])c(NCCO)n1
InChIInChI=1S/C10H18N6O3/c1-3-6(2)13-10-14-8(11)7(16(18)19)9(15-10)12-4-5-17/h6,17H,3-5H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyOLVLYXWVPSSIHD-UHFFFAOYSA-N
XLogP0.58
TPSA139.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.58
H-Bond Donors ≤ 54
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'}

Analyze 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

N4-cyclohexyl-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
CID 3278590
N-Methyl-5-nitro-N'-(tetrahydro-furan-2-ylmethyl)-pyrimidine-2,4,6-triamine
CID 3290758
2-(2-((4-Amino-6-(azepan-1-yl)-5-nitropyrimidin-2-yl)amino)ethoxy)ethanol
CID 3573667
4-N-cyclohexyl-2-N-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine
CID 3648878
2-[2-[[4-Amino-6-(cyclohexylamino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol
CID 3728131
2-N-butan-2-yl-4-N-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
CID 3771205
2-(2-Allylamino-6-amino-5-nitro-pyrimidin-4-ylamino)-ethanol
CID 4045169
N4-cyclohexyl-N2-methyl-5-nitropyrimidine-2,4,6-triamine
CID 4293401
6-(azepan-1-yl)-N~2~-(butan-2-yl)-5-nitropyrimidine-2,4-diamine
CID 4425531
2-(6-Amino-2-dimethylamino-5-nitro-pyrimidin-4-ylamino)-ethanol
CID 3576822
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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol (CID 3435197) is 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol is CCC(C)Nc1nc(N)c([N+](=O)[O-])c(NCCO)n1.
What is the InChIKey of 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
The InChIKey is OLVLYXWVPSSIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3/c1-3-6(2)13-10-14-8(11)7(16(18)19)9(15-10)12-4-5-17/h6,17H,3-5H2,1-2H3,(H4,11,12,13,14,15).
What are the key properties of 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol?
2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol has a molecular weight of 270.29 g/mol, XLogP of 0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 3435197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).