[3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol

C10H12Cl2N4O3 — CID 142470806

IUPAC[3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1c(Cl)nc(Cl)nc1NC1CCC(CO)C1
InChIInChI=1S/C10H12Cl2N4O3/c11-8-7(16(18)19)9(15-10(12)14-8)13-6-2-1-5(3-6)4-17/h5-6,17H,1-4H2,(H,13,14,15)
InChIKeyMRQNLJIAUCQOME-UHFFFAOYSA-N
MW307.14 g/mol
LogP2.26
Rot. Bonds4

About [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol

[3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 142470806) has the molecular formula C10H12Cl2N4O3 and a molecular weight of 307.14 g/mol. Its IUPAC name is [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID142470806
Molecular FormulaC10H12Cl2N4O3
Molecular Weight307.14 g/mol
Exact Mass306.03
IUPAC Name[3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1c(Cl)nc(Cl)nc1NC1CCC(CO)C1
InChIInChI=1S/C10H12Cl2N4O3/c11-8-7(16(18)19)9(15-10(12)14-8)13-6-2-1-5(3-6)4-17/h5-6,17H,1-4H2,(H,13,14,15)
InChIKeyMRQNLJIAUCQOME-UHFFFAOYSA-N
XLogP2.26
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-chloro-N-cyclopropyl-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82458974
2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine
CID 114043442
6-chloro-N-cyclopropyl-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82459091
[(1R)-3-[[2-amino-6-chloro-5-[2-(4-methoxyphenyl)ethynyl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143946879
2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine
CID 114043150
2,4-dichloro-6-cyclopropyl-5-nitropyrimidine
CID 24903888
[3-[[2-amino-6-chloro-5-[2-(2-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143946912
2-chloro-N-cyclohex-3-en-1-yl-6-methyl-5-nitropyrimidin-4-amine
CID 114156776
2-chloro-N-cyclopropyl-5-nitropyrimidin-4-amine;cyclopropanamine;2,4-dichloro-5-nitropyrimidine;iodide
CID 158415225
2-[[(3aR,4S,6R,6aS)-6-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetaldehyde
CID 118475376
[(1R,3S)-3-[[2-amino-6-chloro-5-(2-pyridin-3-ylethynyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88566282
[1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-yl]methanol
CID 114043094

Frequently Asked Questions

What is the IUPAC name of [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol (CID 142470806) is [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol is O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC1CCC(CO)C1.
What is the InChIKey of [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is MRQNLJIAUCQOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4O3/c11-8-7(16(18)19)9(15-10(12)14-8)13-6-2-1-5(3-6)4-17/h5-6,17H,1-4H2,(H,13,14,15).
What are the key properties of [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
[3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 307.14 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 142470806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).