6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron

C16H14ClFeN5-6 — CID 11985898

IUPAC6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron
SMILESClc1nc(NC[c-]2cccc2)nc2nc[nH]c12.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C11H9ClN5.C5H5.Fe/c12-9-8-10(15-6-14-8)17-11(16-9)13-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,6H,5H2,(H2,13,14,15,16,17);1-5H;/q-1;-5;
InChIKeyFIFWEIUVCMICGG-UHFFFAOYSA-N
MW367.62 g/mol
LogP3.74
Rot. Bonds3

About 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron

6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron (PubChem CID 11985898) has the molecular formula C16H14ClFeN5-6 and a molecular weight of 367.62 g/mol. Its IUPAC name is 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron.

Molecular Properties

Compound Name6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron
PubChem CID11985898
Molecular FormulaC16H14ClFeN5-6
Molecular Weight367.62 g/mol
Exact Mass367.03
IUPAC Name6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron
SMILESClc1nc(NC[c-]2cccc2)nc2nc[nH]c12.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C11H9ClN5.C5H5.Fe/c12-9-8-10(15-6-14-8)17-11(16-9)13-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,6H,5H2,(H2,13,14,15,16,17);1-5H;/q-1;-5;
InChIKeyFIFWEIUVCMICGG-UHFFFAOYSA-N
XLogP3.74
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide
CID 114052583
2,6-dichloro-7H-purine
CID 10750289
N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide
CID 114052462
3-N-(6-chloro-7H-purin-2-yl)benzene-1,3-diamine
CID 87707609
6-(2-chlorophenyl)sulfanyl-N-ethyl-7H-purin-2-amine
CID 114788260
potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
benzyl N-(6-chloro-7H-purin-2-yl)carbamate
CID 130581137
2-amino-N-(6-chloro-7H-purin-2-yl)butanamide
CID 114052303
N-(6-chloro-7H-purin-2-yl)heptanamide
CID 114052494
N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide
CID 19917431
N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide
CID 114052468
6-chloro-2-nitroso-7H-purine
CID 174878246

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron?
The IUPAC name of 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron (CID 11985898) is 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron.
What is the SMILES notation for 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron?
The canonical SMILES for 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron is Clc1nc(NC[c-]2cccc2)nc2nc[nH]c12.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron?
The InChIKey is FIFWEIUVCMICGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN5.C5H5.Fe/c12-9-8-10(15-6-14-8)17-11(16-9)13-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,6H,5H2,(H2,13,14,15,16,17);1-5H;/q-1;-5;.
What are the key properties of 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron?
6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron has a molecular weight of 367.62 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron is sourced from PubChem (CID 11985898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).