[1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol

C10H13ClN4O3 — CID 114043278

IUPAC[1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1cnc(Cl)nc1NC1(CO)CCCC1
InChIInChI=1S/C10H13ClN4O3/c11-9-12-5-7(15(17)18)8(13-9)14-10(6-16)3-1-2-4-10/h5,16H,1-4,6H2,(H,12,13,14)
InChIKeyRXCVVILVHDBQNZ-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.76
Rot. Bonds4

About [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol

[1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 114043278) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID114043278
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name[1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1cnc(Cl)nc1NC1(CO)CCCC1
InChIInChI=1S/C10H13ClN4O3/c11-9-12-5-7(15(17)18)8(13-9)14-10(6-16)3-1-2-4-10/h5,16H,1-4,6H2,(H,12,13,14)
InChIKeyRXCVVILVHDBQNZ-UHFFFAOYSA-N
XLogP1.76
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.76
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

[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 138598108
[1-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 104507954
[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731868
[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731831
2-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-5-nitropyrimidin-4-amine
CID 114096267
2-chloro-N-(cyclohexylmethyl)-5-nitropyrimidin-4-amine
CID 86691694
[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methylcarbamic acid
CID 138556745
[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol
CID 81035955
2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 114043375
tert-butyl N-[3-[2-chloro-4-[[1-(hydroxymethyl)cyclohexyl]amino]pyrimidin-5-yl]prop-2-ynyl]carbamate
CID 162360184
4-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 21081058
[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 79633029

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol (CID 114043278) is [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol is O=[N+]([O-])c1cnc(Cl)nc1NC1(CO)CCCC1.
What is the InChIKey of [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is RXCVVILVHDBQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c11-9-12-5-7(15(17)18)8(13-9)14-10(6-16)3-1-2-4-10/h5,16H,1-4,6H2,(H,12,13,14).
What are the key properties of [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
[1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 272.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 114043278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).