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

C12H19N5O3 — CID 106368292

IUPAC[2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1ncnc(NC2CCCCC2CO)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-13-11-10(17(19)20)12(15-7-14-11)16-9-5-3-2-4-8(9)6-18/h7-9,18H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyAGNRKDLXUAHJNJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.39
Rot. Bonds5

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

[2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 106368292) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID106368292
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name[2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1ncnc(NC2CCCCC2CO)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-13-11-10(17(19)20)12(15-7-14-11)16-9-5-3-2-4-8(9)6-18/h7-9,18H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyAGNRKDLXUAHJNJ-UHFFFAOYSA-N
XLogP1.39
TPSA113.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
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'}

Analyze [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

4-N-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
4-N-(2,3-dimethylcyclohexyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 112726494
[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 113344395
6-N-methyl-5-nitro-4-N-(thian-3-yl)pyrimidine-4,6-diamine
CID 113249982
6-N-methyl-5-nitro-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 80853472
6-chloro-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 62101023
[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364141
[2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114179883
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114179877
[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol
CID 106368067
4-chloro-6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrimidine-5-carbaldehyde
CID 114179129
6-N-methyl-4-N-(1-methylpyrrolidin-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80803697

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol (CID 106368292) is [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol is CNc1ncnc(NC2CCCCC2CO)c1[N+](=O)[O-].
What is the InChIKey of [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is AGNRKDLXUAHJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-13-11-10(17(19)20)12(15-7-14-11)16-9-5-3-2-4-8(9)6-18/h7-9,18H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol?
[2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 281.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106368292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).