[1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol

C12H19N5O3 — CID 80832991

IUPAC[1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCCNc1ncnc(NC2(CO)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-2-13-10-9(17(19)20)11(15-8-14-10)16-12(7-18)5-3-4-6-12/h8,18H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyJZKGFXLPWWFTFK-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.53
Rot. Bonds6

About [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol

[1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 80832991) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID80832991
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name[1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCCNc1ncnc(NC2(CO)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-2-13-10-9(17(19)20)11(15-8-14-10)16-12(7-18)5-3-4-6-12/h8,18H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyJZKGFXLPWWFTFK-UHFFFAOYSA-N
XLogP1.53
TPSA113.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.53
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'}

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Related Compounds

[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80804152
2-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855728
2-ethyl-2-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]butan-1-ol
CID 80832997
6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine
CID 80848846
6-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80841300
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301168
[4-[(6-chloro-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170521
2-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 80843668
3-ethyl-1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]pentan-2-ol
CID 106288935
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80791882
[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968805
1-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 78992994

Frequently Asked Questions

What is the IUPAC name of [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol (CID 80832991) is [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol is CCNc1ncnc(NC2(CO)CCCC2)c1[N+](=O)[O-].
What is the InChIKey of [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is JZKGFXLPWWFTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-2-13-10-9(17(19)20)11(15-8-14-10)16-12(7-18)5-3-4-6-12/h8,18H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol?
[1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 281.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 80832991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).